Category: nitriles-buliding-blocks

Some common heterocyclic compound, 1735-88-2, name is 2-Cyano-N-(4-fluorophenyl)acetamide, molecular formula is C9H7FN2O, traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route. COA of Formula: C9H7FN2O

A mixture of N-(4-fluorophenyl)cyanoacctamide (1 equiv.), hydroxylamine hydrochloride (2 equiv.) and tricthylamine (2 equiv.) in DMF was heated to 50-60nC for 4 h th«n diluted with water and the product filtered off and dried.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 1735-88-2, its application will become more common.

Reference:
Patent; COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION; WO2008/70891; (2008); A1;,
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Application of 2941-29-9,Some common heterocyclic compound, 2941-29-9, name is Cyclopentanone-2-carbonitrile, molecular formula is C6H7NO, traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

[00482] Step B: Preparation of 2-(l -methyl- lH-pyrazol-4-ylV2.4.5.6- tetrahydrocyclopenta- [c]pyrazol-3-amine : To a solution of di-tert-butyl 1 -(1 -methyl- 1H- pyrazol-4-yl)hydrazine-l,2-dicarboxylate (103 mg, 0.330 mmol) in EtOH (1.65 mL, 0.330 mmol) was added concentrated HCl (137 mu, 1.65 mmol). The mixture was stirred at ambient temperature for 5 minutes, then cooled in an ice bath followed by addition of 2- oxocyclopentanecarbonitnle (36.0 mg, 0.330 mmol). After stirring for 5 minutes, the reaction mixture was warmed to ambient temperature overnight. The reaction mixture was concentrated and partitioned in water and DCM. After phase-separation, the aqueous layer was basified (pH 10) and then extracted with DCM (3 x 10 mL). The combined organic extracts were dried with MgS04, filtered and concentrated in vacuo. The crude material was purified by reverse-phase column chromatography, eluting with 0-100percent acetonitrile/water to afford the product as a yellow solid (4.5 mg, 6.7percent yield). MS (apci) m/z = 204.1 (M+H).

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route Cyclopentanone-2-carbonitrile, its application will become more common.

Reference:
Patent; ARRAY BIOPHARMA INC.; ALLEN, Shelley; BRANDHUBER, Barbara J.; CONDROSKI, Kevin Ronald; HUANG, Lily; KERCHER, Timothy; WINSKI, Shannon L.; WO2014/78408; (2014); A1;,
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Related Products of 41963-20-6,Some common heterocyclic compound, 41963-20-6, name is 4-Bromo-3-methylbenzonitrile, molecular formula is C8H6BrN, traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

A solution of 4-bromo-3-methyl-benzonitrile (commercially available) (500 mg) in dichloromethane (7.5 ml) was added at 00C to a solution of diisobutylaluminium hydride (“DIBAL-H”) (2.6. ml) in hexanes (IM). The reaction mixture was stirred at 00C for 2 hours. The reaction mixture was poured on a mixture of ice (10 g) and aqueous hydrobromic acid (6M) (10 ml). The mixture was allowed to warm to ambient temperature and then extracted twice with dichloromethane. The combined organic phases were washed with water, dried over sodium sulfate, and concentrated to give 4-bromo-3-methyl-benzaldehyde (0.419 g) as a colorless oil. 1H-NMR (400 MHz, CDCl3): 9.95 (s, IH), 7.72 (m, 2H), 7.55 (d, IH), 2.50 (s, 3H) ppm.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 4-Bromo-3-methylbenzonitrile, its application will become more common.

Reference:
Patent; SYNGENTA PARTICIPATIONS AG; PITTERNA, Thomas; EL QACEMI, Myriem; BOBOSIK, Vladimir; RENOLD, Peter; CASSAYRE, Jerome, Yves; JUNG, Pierre, Joseph; WO2010/20521; (2010); A1;,
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Synthetic Route of 63069-50-1, In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. 63069-50-1, name is 4-Amino-3-fluorobenzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

General procedure: A mixture of 4-amino-3-fluorobenzonitrile (147 mmol), 12(147 mmol) and Ag2504 (147 mmol) in EtOH (700 mE) wasstirred at room temperature for 1 .5 h. The mixture was filtered and concentrated. The residue was dissolved in EtOAc and washed (sat. Na25203x3). The organic layer was dried (Na2504) and concentrated. The residue was purifiedby flash colunm chromatography (SiO2, 95:5 to 70:30 cyclohexane/EtOAc) to yield the desired product.

In the field of chemistry, the synthetic routes of compounds are constantly being developed and updated. I will also mention this compound in other articles, 4-Amino-3-fluorobenzonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; GALAPAGOS NV; Menet, Christel Jeanne Marie; Mammoliti, Oscar; Blanc, Javier; Orsulic, Mislav; Roscic, Maja; (81 pag.)US9440929; (2016); B2;,
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Reference of 38803-30-4, In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. 38803-30-4, name is 3-(Dimethylamino)benzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

3-N,N-Dimethylaminobenzenecarboximidic acid, ethyl ester monohydrochloride Dry hydrogen chloride gas was bubbled into a solution of 3-N,N-dimethylaminobenzonitrile (5.776 g, 0.4 mol) in dry ethanol (50 mL) for 10-15 min at which time the product precipitated out of solution. Further addition of hydrogen chloride gave a homogeneous solution which was stirred overnight. The solvent as evaporated and the residue triturated with diethyl ether, filtered and dried under vacuum to give the title compound (8.786 g, 97%) m.p. 227-229 C.

In the field of chemistry, the synthetic routes of compounds are constantly being developed and updated. I will also mention this compound in other articles, 3-(Dimethylamino)benzonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; Peter MacCallum Cancer Institute; US6548505; (2003); B1;,
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In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. 144649-99-0, name is 5-Bromo-2-methoxybenzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below. Safety of 5-Bromo-2-methoxybenzonitrile

Example 35 1,1-Dimethylethyl{[5-bromo-2-(methyloxy)phenyl]methyl}carbamate NaBH4 (2.9 g, 75.5 mmol) was cautiously added in several portions to a solution of NiCl2 (2.6 g, 19.8 mmol), Boc2O (8.2 g, 37.7 mmol) and 5-bromo-2-(methyloxy)benzonitrile (4.0 g, 18.9 mmol) in dry EtOH (70 mL) at 0 C. Once the reaction had subsided, the mixture was left to stir at room temperature for 3 h. Ethanol was removed under reduced pressure and the residue was dissolved in EtOAc and saturated solution of NaHCO3, then filtered and the aqueous layer was repeatedly washed with EtOAc. The combined organic phases were dried Na2SO4. The crude product was purified by flash column chromatography to give the captioned the product (1.5 g yield: 25%). 1H NMR (400 MHz, CDCl3) delta 7.36-7.33 (m, 2H), 6.74 (d, J=8.8 Hz, 1H), 4.97 (br, 1H), 4.27 (d, J=4.8 Hz, 1H), 3.82 (s, 3H), 1.45 (s, 9H); 13C NMR (400 MHz, CDCl3) delta 156.5, 155.8, 131.7, 131.1, 129.3, 111.8, 79.5, 55.5, 39.9, 26.4. HPLC: retention time.

The synthetic route of 144649-99-0 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Glaxo Group Limited; US2009/203677; (2009); A1;,
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Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 34667-88-4, name is 2-Fluoro-4-nitrobenzonitrile, A new synthetic method of this compound is introduced below., category: nitriles-buliding-blocks

A solution of 66 6 (10.0g, 60.24mmol) in 69 methanol (100mL) was hydrogenated with 10percent 70 Pd/C (1.0g) under hydrogen atmosphere at room temperature for 12h. After filtration, the filtrate was evaporated to give the corresponding product. It was obtained as a gray 16 solid in 88percent yield. 7 was ready for the next step without the further purification. HRMS (ESI): m/z, calculated for C7H5FN2 137.0487 (M+H)+, found 137.0452.

The synthetic route of 34667-88-4 has been constantly updated, and we look forward to future research findings.

Reference:
Article; Xu, Xi; Ge, Raoling; Li, Lei; Wang, Jubo; Lu, Xiaoyu; Xue, Siqi; Chen, Xijing; Li, Zhiyu; Bian, Jinlei; European Journal of Medicinal Chemistry; vol. 143; (2018); p. 1325 – 1344;,
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These common heterocyclic compound, 89001-53-6, name is 2-Methyl-4-nitrobenzonitrile, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route. Formula: C8H6N2O2

A degassed solution of 2-methyl-4-nitrobenzonitrile (10 g, 61.7 mmol), N- bromosuccinimide (13.2 g (74.17 mmol, 1.2 eq.) and azobisisobutyronitrile (AIBN) (2.0 g, 12.18 mmol, 0.2 eq) in 300 ml CCI4 was heated at reflux for 3 days. After solvent was evaporated the residue was taken in ethyl acetate and washed 2x with aq. NaHCO3 , aq. Na2S2theta3, brine, dried over MgSO4, filtered, concentrated and purified chromatography using 15% ethyl acetate in hexane to provide 1 1.7 g of 2-bromomethyl-4-nitrobenzonitrile.

The synthetic route of 2-Methyl-4-nitrobenzonitrile has been constantly updated, and we look forward to future research findings.

Reference:
Patent; SCHERING CORPORATION; CHELLIAH, Mariappan, V.; CHACKALAMANNIL, Samuel; GREENLEE, William, J.; EAGEN, Keith, A.; GUO, Zhuyan; CLASBY, Martin, C.; XIA, Yan; JAYNE, Charles, L.; DWYER, Michael; KEERTIKAR, Kartik, M.; CHAN, Tin-Yau; WANG, Li; WO2011/17296; (2011); A1;,
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Synthetic Route of 13531-48-1, These common heterocyclic compound, 13531-48-1, name is Methyl 3-cyanobenzoate, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

To a solution of 3-Cyanobenzoic acid methyl ester (5Og, 310 mmol) in ethanol(500 mL) was added 50% aqueous hydroxylamine (41 mL, 620 mmol) at room temperature. The reaction mixture was stirred for 1 h at 100 0C and the solvents were removed under reduced pressure. The oily residue was dissolved in 20/80 ethanol/toluene (50 mL x 2) and then concentrated again. The desired ester (6 Ig, quan. yield) was obtained as a white powder with 98% purity (LC/UV). 1H-NMR (CDCl3) delta 9.76 (IH), 8.24 (IH), 7.82 (2H), 7.51 (IH), 5.92 (2H), 3.82 (3H).

The synthetic route of 13531-48-1 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; PTC THERAPEUTICS, INC.; WO2008/45566; (2008); A1;,
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Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 19924-43-7, name is 2-(3-Methoxyphenyl)acetonitrile, This compound has unique chemical properties. The synthetic route is as follows., COA of Formula: C9H9NO

In a 10 mL single-neck round bottom flask under argon protection,A suspension of sodium dispersion in toluene (28.7% by weight, 5.00 mmol) was added followed by anhydrous tetrahydrofuran (1.0 mL),Dibenzo-18-crown-6 (5.00 mmol) was added at 0 C and stirred vigorously for 5 min. A solution of 1e (73.6 mg, 0.5 mmol) in anhydrous tetrahydrofuran (2.0 mL) was added, and the mixture was stirred vigorously at 0 C for 20 minutes. Then n-PrOH (5.00 mmol) was added. The reaction mixture was stirred vigorously at 0 C for 1 hour, and the reaction was quenched with a saturated aqueous sodium bicarbonate solution (2.0 mL). Anhydrous ether was added and the mixture was extracted with saturated sodium chloride solution. The organic phase was dried, concentrated, and separated by column chromatography to obtain 47.7 mg of the target compound 2e in a yield of 78%.

Chemical properties determine the actual use. Each compound has specific chemical properties and uses. We look forward to more synthetic routes in the future to expand reaction routes of 19924-43-7.

Reference:
Patent; China Agricultural University; An Jie; Luo Shihui; Ding Yuxuan; (13 pag.)CN110734414; (2020); A;,
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