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CAS Number: 20481-15-6
ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Structure

ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Name: ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Synonyms:
General Information
Product Number: 20481156
CAS Registry Number: 20481-15-6
Name:
        1H-​Pyrazolo[3,​4-​b]​pyridine-​5-​carboxylic acid, 4-​chloro-​1,​3-​dimethyl-​, ethyl ester
        4-​Chloro-​1,​3-​dimethyl-​5-​ethoxycarbonyl-​1H-​pyrazolo[3,​4-​b]​pyridine; Ethyl 4-​chloro-​1,​3-​dimethyl-​1H-​pyrazolo[3,​4-​b]​pyridine-​5-​carboxylate 
 
Chemical Formula: C11H12ClN3O2
Exact Mass: 253.06
Molecular Weight: 253.68
m/z: 253.06 (100.0%), 255.06 (32.1%), 254.07 (12.1%), 256.06 (4.2%), 254.06 (1.1%), 255.07 (1.1%)
Elemental Analysis: C, 52.08; H, 4.77; Cl, 13.98; N, 16.56; O, 12.61
 
InChI: InChI=1S/C11H12ClN3O2/c1-4-17-11(16)7-5-13-10-8(9(7)12)6(2)14-15(10)3/h5H,4H2,1-3H3
InChIKey: QJXXEUYFFZWYCX-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CN=C2C(=C1Cl)C(=NN2C)C
 
Thermal Properties Value Condition Note
Melting Point 93-94 °C   (1)IC
Melting Point 93-94 °C Solv: ethanol (64-17-5); water (7732-18-5) (2)IC
 

Specification

98%

References
  1. (1) Khan, Misbahul A.; Monatshefte fuer Chemie 1982, V113(1), P123-7 CAPLUS
  2. (2) Lynch, Brian Maurice; Canadian Journal of Chemistry 1988, V66(3), P420-8 CAPLUS
  3. (3) Ochiai, Hiroshi; Bioorganic & Medicinal Chemistry 2004, V12(15), P4089-4100 CAPLUS
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