ChemicalBook--->CAS DataBase List--->104711-65-1

104711-65-1

104711-65-1 Structure

104711-65-1 Structure
IdentificationBack Directory
[Name]

4-Chloro-2-cyano-6-methylpyrimidine
[CAS]

104711-65-1
[Synonyms]

4-Chloro-6-Methylpicolinonitrile
4-Chloro-2-cyano-6-methylpyridine
4-Chloro-2-cyano-6-methylpyrimidine
4-chloro-methyl-pyridine -2-cabonitrile
2-Pyridinecarbonitrile, 4-chloro-6-methyl-
4-Chloro-2-cyano-6-methylpyrimidine ISO 9001:2015 REACH
[Molecular Formula]

C7H5ClN2
[MDL Number]

MFCD07374955
[MOL File]

104711-65-1.mol
[Molecular Weight]

152.58
Chemical PropertiesBack Directory
[Melting point ]

78-79 °C
[Boiling point ]

250.1±35.0 °C(Predicted)
[density ]

1.26±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

-1.72±0.10(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319
[Precautionary statements ]

P305+P351+P338
[HazardClass ]

IRRITANT
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chloro-2-cyano-6-methylpyrimidine(104711-65-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-CHLORO-2-METHYL-PYRIDINE 1-OXIDE

696-08-2

Trimethylsilyl cyanide

7677-24-9

4-Chloro-2-cyano-6-methylpyrimidine

104711-65-1

General procedure for the preparation of 4-chloro-6-methylpyridinecarbonitrile: 4-chloro-2-methylpyridine-N-oxide (8.97 g, 62.5 mmol, 1.00 eq.) was dissolved in dichloromethane (CH2Cl2) and dried with anhydrous magnesium sulfate (MgSO4). The resulting solution was transferred to a pre-flame-dried round-bottomed flask and dichloromethane was replenished to a total volume of 188 mL. Subsequently, trimethylcyanosilane (TMS-cyanide, 10 mL, 75 mmol, 1.2 equiv.) was added and the reaction mixture was stirred for 15 min. Dimethylcarbamoyl chloride (6.9 mL, 75 mmol, 1.2 eq.) was added slowly and dropwise over 20 minutes and the reaction continued to be stirred for 24 hours. After that, 1 equivalent of trimethylcyanosilane and dimethylcarbamoyl chloride was added additionally and the reaction was continued with stirring for 72 hours. After completion of the reaction, the reaction solution was adjusted to alkaline with 10% potassium carbonate (K2CO3) solution and extracted with dichloromethane (3×). The organic phases were combined, dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure. Purification by fast column chromatography on silica gel afforded 7.2 g (75% yield) of the target compound 4-chloro-6-methylpyridinecarbonitrile as a white solid. NMR hydrogen spectrum (400 MHz, DMSO-d6) δ 8.13 (d, J = 1.6 Hz, 1H), 7.82 (d, J = 1.7 Hz, 1H), 2.52 (s, 3H); electrospray mass spectrometry (ES-MS) [M + 1]+: m/z calculated value.

[References]

[1] Patent: WO2016/102493, 2016, A1. Location in patent: Page/Page column 86; 87
[2] Journal of Medicinal Chemistry, 2017, vol. 60, # 12, p. 5072 - 5085
[3] Patent: WO2012/118563, 2012, A2. Location in patent: Page/Page column 135-136
[4] Patent: WO2015/200682, 2015, A1. Location in patent: Paragraph 00468
[5] Tetrahedron Letters, 2017, vol. 58, # 36, p. 3554 - 3558
104711-65-1 suppliers list
Company Name: Shanghai AmasPharm Co., Ltd.  
Telephone: 021-54540637 18621091017
Website: http://www.amaspharm.com
Company Name: ZhengZhou HuaWen Chemical Co.Ltd  
Telephone: 0370-2785118 17550508557
Website: http://www.hnhwchem.com
Company Name: Chiba Pharmaceutical Science and technology Co, Ltd.  
Telephone: 0531-81313138 13066006660
Website: http://www.chibapharm.com
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: Jinan LuoHe PharmaTech Co., Ltd.  
Telephone: 86-0531-68658065 15726150375
Website: www.chemicalbook.com/supplier/10859562/
Company Name: SuZhou ShiYa Biopharmaceuticals, Inc.  
Telephone: 0512-0512-52358471 17715136450
Website: http://www.shiyabiopharm.com
Company Name: ShangHai Angti Biotechnology Co., Ltd.  
Telephone: 13764913901
Website: http://www.angtibio.com
Company Name: Shanghai Haozhixiang Biotechnology Co., Ltd  
Telephone: 526763801 13301653310
Website:
Company Name: Changzhou Hopschain Chemical Co.,Ltd.  
Telephone: 85528066 13775048983
Website: http://www.hopschem.cn
Company Name: Jinan Kaixi Biotechnology Co., Ltd.  
Telephone: 13370511208; 15853141736
Website: https://www.chemicalbook.com/ShowSupplierProductsList19753/0_EN.htm
Company Name: Shanghai SuperLan Chemcial Technique Centre  
Telephone: 0-2022843681 15618226720
Website: www.chemicalbook.com/showsupplierproductslist19886/0_en.htm
Company Name: Amadis Chemical Company Limited  
Telephone: 571-89925085
Website: http://www.amadischem.com
Company Name: Nanijing m&m biotechnology Co. ,Ltd.  
Telephone: 025-87782433 18021532344
Website: http://www.marymebiotech.com
Company Name: Shanghai Baozhi Biological Technology Co., Ltd.  
Telephone: 13764058804
Website: https://www.chemicalbook.com/ShowSupplierProductsList30230/0_EN.htm
Company Name: Capot Chemical Co.,Ltd.  
Telephone: +86-(0)57185586718 +86-13336195806
Website: www.capot.com/
Company Name: Aikon International Limited  
Telephone: 025-58859352 15955137747
Website: www.aikonchem.com
Company Name: Hebei Huaxing Chemical Co., Ltd  
Telephone: 0319-6931777 13930968617
Website: https://www.chemicalbook.com/supplier/10141342/
Company Name: Shanghai Sealing Biotechnology Co. Ltd..  
Telephone: 15721176654;15710104046
Website: www.chemicalbook.com/ShowSupplierProductsList30844/0_EN.htm
Tags:104711-65-1 Related Product Information
87-90-1 1841081-42-2 55306-66-6 19235-89-3 40314-71-4 3512-75-2