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CAS Number: 113046-72-3
ethyl 6,7-difluoro-1-methyl-4-oxo-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

Structure

ethyl 6,7-difluoro-1-methyl-4-oxo-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
Name: ethyl 6,7-difluoro-1-methyl-4-oxo-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
Synonyms:
General Information
Product Number: 113046723
CAS Registry Number: 113046-72-3
Name:
1H,​4H-​[1,​3]​Thiazeto[3,​2-​a]​quinoline-​3-​carboxylic acid, 6,​7-​difluoro-​1-​methyl-​4-​oxo-​, ethyl ester
Deleted CAS Registry Numbers: 145788-​71-​2
 
Chemical Formula: C14H11F2NO3S
Exact Mass: 311.04
Molecular Weight: 311.30
m/z: 311.04 (100.0%), 312.05 (15.4%), 313.04 (4.6%), 313.05 (1.8%), 312.04 (1.2%)
Elemental Analysis: C, 54.01; H, 3.56; F, 12.21; N, 4.50; O, 15.42; S, 10.30
 
InChI: InChI=1S/C14H11F2NO3S/c1-3-20-14(19)11-12(18)7-4-8(15)9(16)5-10(7)17-6(2)21-13(11)17/h4-6H,3H2,1-2H3
InChIKey: UUJUEXKIHKGFTH-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C2N(C(S2)C)C3=CC(=C(C=C3C1=O)F)F
 
Thermal Properties Value Condition Note
Melting Point 202 °C Solv: chloroform (67-66-3); methanol (67-56-1) (2)IC
Melting Point 200-202 °C Solv: chloroform (67-66-3); methanol (67-56-1) (2)IC
Melting Point See full text   (1)CAS

Specification

98%

References
  1. (1) Song, Linchen; Zhongguo Yaowu Huaxue Zazhi 2009, V19(3), P214-217 CAPLUS
  2. (2) Kise, Marashiro; GB 2190376 A 1987 CAPLUS
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