| Identification | Back Directory | [Name]
METHYL 5-BROMO-2-(METHYLSULFANYL)-4-PYRIMIDINECARBOXYLATE, 97 | [CAS]
50593-91-4 | [Synonyms]
fanyL
)-4- pyrimidinecarboxyL
methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate
Methyl 5-BroMo-2-(Methylthio)-4-pyriMidinecarboxylate
methyl 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylate
Methyl 5-bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylate
Methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate ,97%
THYL 5-BROMO-2-(METHYLSULFANYL)-4-PYRIMIDINECARBOXYLATE, 97
METHYL 5-BROMO-2-(METHYLSULFANYL)-4-PYRIMIDINECARBOXYLATE, 97
4-PyriMidinecarboxylic acid, 5-broMo-2-(Methylthio)-, Methyl ester
5-Bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid methyl ester
METHYL 5-BROMO-2-(METHYLSULFANYL)-4-PYRIMIDINECARBOXYLATE, 97 ISO 9001：2015 REACH | [Molecular Formula]
C7H7BrN2O2S | [MDL Number]
MFCD05664428 | [MOL File]
50593-91-4.mol | [Molecular Weight]
263.112 |
| Chemical Properties | Back Directory | [Melting point ]
67 °C | [Boiling point ]
348.7±22.0 °C(Predicted) | [density ]
1.69±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Solid | [pka]
-2.91±0.29(Predicted) | [color ]
Pale yellow | [Water Solubility ]
Slightly soluble in water (0.42 g/L). | [InChI]
InChI=1S/C7H7BrN2O2S/c1-12-6(11)5-4(8)3-9-7(10-5)13-2/h3H,1-2H3 | [InChIKey]
MYZJIEWTRJTWCD-UHFFFAOYSA-N | [SMILES]
C1(SC)=NC=C(Br)C(C(OC)=O)=N1 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow solid | [Uses]
It can be used as pharmaceutical raw material and intermediate. | [Synthesis]
General procedure for the preparation of methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate: 5-bromo-2-(methylthio)pyrimidine-4-carboxylic acid (7.64 g, 30.7 mmol) was dissolved in methanol (60 mL). Sulfuric acid (2 mL) was added to the solution and the mixture was subsequently heated to reflux for 24 hours. Upon completion of the reaction, the mixture was poured into ice water and extracted with dichloromethane (DCM). The organic phase was washed with saturated aqueous sodium bicarbonate solution, dried over anhydrous sodium sulfate and concentrated under reduced pressure to afford the target compound methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate (6.42 g, 80% yield). The product was characterized by 1H NMR (500 MHz, CDCl3): δ 8.72 (s, 1H), 4.01 (s, 3H), 2.58 (s, 3H).LCMS (ESI) analysis showed a retention time of Rt = 2.35 min and a molecular ion peak 263 [M + H]+. | [References]
[1] Patent: WO2014/37750, 2014, A1. Location in patent: Paragraph 00149; 0046-0050
[2] Patent: WO2015/128676, 2015, A1. Location in patent: Page/Page column 117-118
[3] Journal of Medicinal Chemistry, 2017, vol. 60, # 6, p. 2215 - 2226
[4] Patent: WO2017/221100, 2017, A1. Location in patent: Paragraph 00284
[5] Patent: EP3305785, 2018, A1. Location in patent: Paragraph 0167; 0168 |
|
| Company Name: |
THchemica Co.,Ltd. Gold
|
| Telephone: |
0573-82835115 18969301519 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList206721/0_EN.htm |
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Shanghai Ennopharm Co., Ltd.
|
| Telephone: |
+86 (21) 6435-5022 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList13640/0_EN.htm |
| Company Name: |
SynAsst Chemical.
|
| Telephone: |
021-60343070 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList15848/0_EN.htm |
|