ChemicalBook--->CAS DataBase List--->58539-65-4

58539-65-4

58539-65-4 Structure

58539-65-4 Structure
IdentificationBack Directory
[Name]

3-Pyridinecarboxamide,2-methyl-(9CI)
[CAS]

58539-65-4
[Synonyms]

2-methylnicotinamide
2-Methyl-3-PyridinecarboxaMide
3-Pyridinecarboxamide, 2-methyl-
3-Pyridinecarboxamide,2-methyl-(9CI)
2-Methylnicotinamide (~12% inorganics)
3-Pyridinecarboxamide,2-methyl-(9CI) ISO 9001:2015 REACH
[EINECS(EC#)]

-0
[Molecular Formula]

C7H8N2O
[MDL Number]

MFCD09909457
[MOL File]

58539-65-4.mol
[Molecular Weight]

136.15
Chemical PropertiesBack Directory
[Melting point ]

158 °C
[Boiling point ]

271.9±28.0 °C(Predicted)
[density ]

1.157±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly, Sonicated)
[form ]

Solid
[pka]

14.85±0.50(Predicted)
[color ]

White to Off-White
Safety DataBack Directory
[HS Code ]

2933399990
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

2-Methylnicotinamide (~12% inorganics) can be used as JAK inhibitors to treat autoimmune disease or cancer.
[Definition]

ChEBI: 2-methylnicotinamide is a pyridinecarboxamide that is nicotinamide substituted by a methyl group at C-2. It has a role as a metabolite. It is functionally related to a nicotinamide.
[Synthesis]

2-Methylnicotinic acid

3222-56-8

3-Pyridinecarboxamide,2-methyl-(9CI)

58539-65-4

General procedure for the synthesis of 2-methylnicotinamide from 2-methylnicotinic acid: 2-methylnicotinic acid (0.537 mg, 3.9 mmol) was dissolved in 20 mL of DMF at 0 °C, and HATU (1.56 g, 4.1 mmol) and DIPEA (0.72 mL, 4.1 mmol) were added sequentially. Subsequently, ammonia (NH3) was passed into the reaction system for 15 min. The reaction mixture was stirred overnight at room temperature. After completion of the reaction, the paste was obtained by filtration, washed with cold DMF and the filtrate was discarded. The mother liquor was concentrated and purified by normal phase chromatography with the eluent being MeOH solution of CH2Cl2/7N NH3 (93:7, v/v). The final white solid product 2-methylnicotinamide (405 mg, 76% yield) was obtained. The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3): δ 1.34 (s, 9H), 1.36 (d, J = 6.64 Hz, 3H), 2.56 (s, 3H), 4.32-4.40 (m, 1H), 7.15-7.19 (m, J = 8.20 Hz, 1H), 7.68 (d, J = 8.20 Hz, 1H) .

[References]

[1] Patent: WO2007/73303, 2007, A2. Location in patent: Page/Page column 38
[2] Patent: EP1193265, 2002, A2. Location in patent: Page 76-77
[3] Patent: US2013/281397, 2013, A1. Location in patent: Paragraph 0438; 0439
[4] Journal of Medicinal Chemistry, 2000, vol. 43, # 16, p. 3168 - 3185
[5] European Journal of Medicinal Chemistry, 2012, vol. 55, p. 58 - 66,9
Spectrum DetailBack Directory
[Spectrum Detail]

3-Pyridinecarboxamide,2-methyl-(9CI)(58539-65-4)1HNMR
58539-65-4 suppliers list
Company Name: JinYan Chemicals(ShangHai) Co.,Ltd.  
Telephone: 13817811078
Website: www.jingyan-chemical.com
Company Name: Shangchem Co., Ltd.  
Telephone: +86-21-68182121
Website: www.chemicalbook.com/ShowSupplierProductsList14031/0_EN.htm
Company Name: Shanghai Longsheng chemical Co.,Ltd.  
Telephone: 58099637 13585536065
Website: www.shlshg.com
Company Name: Shanghai Ennopharm Co., Ltd.  
Telephone: +86 (21) 6435-5022
Website: www.chemicalbook.com/ShowSupplierProductsList13640/0_EN.htm
Company Name: skychemical Co.Ltd  
Telephone: 021-20958197 20965099
Website: www.skychemical.com
Company Name: Hunan Hui Bai Shi Biotechnology Co., Ltd.  
Telephone: 0731-85526065 13308475853
Website: http://www.hnhbsj.com/
Company Name: Chengdu Forest Science and Technology Development Co., Ltd.  
Telephone: 18030648795 18030648795
Website: www.cdforestchem.com
Company Name: Shanghai Topbiochem Technology Co., Ltd  
Telephone: +86-21-60341587
Website: www.topbiochem.com
Company Name: Nanjing Norris-Pharm Technology Co., Ltd  
Telephone: 13901585132
Website:
Company Name: 9ding chemical ( Shanghai) Limited  
Telephone: 4009209199
Website: www.9dingchem.com
Company Name: SynAsst Chemical.  
Telephone: 021-60343070
Website: www.chemicalbook.com/ShowSupplierProductsList15848/0_EN.htm
Company Name: Aloespharm Co., Ltd.  
Telephone: 021-20960837
Website: http://www.aloespharm.com
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: Shanghai Worldyang Chemical Co.,Ltd.  
Telephone: 021-56795766
Website: www.worldyachem.com
Company Name: Chengdu Firster Pharmaceutical Co., Ltd.  
Telephone: 028-87078428 028-87074958
Website: http://www.cdfirster.com
Company Name: Shanghai Yongye Biotechnology Co., Ltd.  
Telephone: 86-021-61559134 15921386130
Website: www.shyongye.com
Company Name: Jiangsu Aikon Biopharmaceutical R&D co.,Ltd.  
Telephone: 025-66028182 17714375163
Website: www.aikonchem.com
Company Name: NovoChemy Ltd.  
Telephone: 86-(0)21-31261262 373522135
Website: www.novochemy.com
Tags:58539-65-4 Related Product Information