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CAS Number: 69614-04-6
(S)-methyl 5-oxo-5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-7-carboxylate

Structure

(S)-methyl 5-oxo-5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-7-carboxylate
Name: (S)-methyl 5-oxo-5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-7-carboxylate
Synonyms:
General Information
Product Number: 69614046

CAS Registry Number: 69614-04-6

Name:

Imidazo[1,​5-​c]​pyrimidine-​7-​carboxylic acid, 5,​6,​7,​8-​tetrahydro-​5-​oxo-​, methyl ester, (7S)​-
Imidazo[1,​5-​c]​pyrimidine-​7-​carboxylic acid, 5,​6,​7,​8-​tetrahydro-​5-​oxo-​, methyl ester, (S)​-; NSC 249994 

Deleted CAS Registry Numbers: 109013-​65-​2, 133616-​01-​0

 

Chemical Formula: C8H9N3O3
Exact Mass: 195.06
Molecular Weight: 195.18
m/z: 195.06 (100.0%), 196.07 (8.9%), 196.06 (1.1%)
Elemental Analysis: C, 49.23; H, 4.65; N, 21.53; O, 24.59

 

InChI: InChI=1S/C8H9N3O3/c1-14-7(12)6-2-5-3-9-4-11(5)8(13)10-6/h3-4,6H,2H2,1H3,(H,10,13)
InChIKey: MSWBJDHMQDISQH-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1CC2=CN=CN2C(=O)N1

 

Thermal Properties Value Condition Note
Melting Point 165-167 °C   (3)CAS
Melting Point 160-162 °C Solv: methanol (67-56-1) (5)IC

Specification

98%

References
  1. (1) Fahrni, Christoph J.; Helvetica Chimica Acta 1998, V81(3), P491-506 CAPLUS
  2. (2) Pak, Jae Kyoung; Chemistry - A European Journal 2003, V9(9), P2053-2061 CAPLUS
  3. (3) Bregeon, D.; Amino Acids 2008, V35(1), P175-184 CAPLUS
  4. (4) Alberto, Roger; WO 2004097406 A2 2004 CAPLUS
  5. (5) Voelter, Wolfgang; DE 3322117 A1 1984 CAPLUS
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