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CAS Number: 93107-30-3
1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Structure

1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Name: 1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Synonyms:
General Information
Product Number: 93107303

CAS Registry Number 93107-30-3
Name:
3-​Quinolinecarboxylic acid, 1-​cyclopropyl-​6,​7-​difluoro-​1,​4-​dihydro-​4-​oxo-
1-Cyclopropyl-1,4-dihydro-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinolin-3-carboxylic acid
1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
1-Cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid

 

Chemical Formula: C13H9F2NO3
Exact Mass: 265.06
Molecular Weight: 265.21
m/z: 265.06 (100.0%), 266.06 (14.3%), 267.06 (1.6%)

 

InChI:InChI=1S/C13H9F2NO3/c14-9-3-7-11(4-10(9)15)16(6-1-2-6)5-8(12(7)17)13(18)19/h3-6H,1-2H2,(H,18,19)

InChI Key:KNEXGVPHPGXAGF-UHFFFAOYSA-N

Canonical SMILES:C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)F)F)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point >300 °C   (2)IC
Melting Point 292-293 °C   (3)IC
Melting Point 291 °C   (4)IC
Melting Point 288-290 °C Solv: N,N-dimethylformamide (68-12-2) (5)IC
Melting Point 287-289 °C Solv: ethanol (64-17-5); chloroform (67-66-3) (1)IC
Melting Point 284-286 °C Solv: chloroform (67-66-3); ethanol (64-17-5) (6)CAS

Specification

98%

References
  1. (1) Egawa, Hiroshi; Journal of Heterocyclic Chemistry 1987, V24(1), P181-5 CAPLUS
  2. (2) Domagala, John Michael; WO 8906649 A2 1989 CAPLUS
  3. (3) Sum, Phaik Eng; US 4940710 A 1990 CAPLUS
  4. (4) Grohe, Klaus; Liebigs Annalen der Chemie 1987, (1), P29-37 CAPLUS
  5. (5) Bitha, Panayota; US 4833270 A 1989 CAPLUS
  6. (6) Hong, Wan Pyo; Synthesis 2006, (6), P963-968 CAPLUS
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