中文版English

CAS Number: 13720-94-0
ethyl 4-chloroquinoline-3-carboxylate

Structure

ethyl 4-chloroquinoline-3-carboxylate
Name: ethyl 4-chloroquinoline-3-carboxylate
Synonyms:
General Information
Product Number: 13720940
CAS Registry Number: 13720-94-0
Name:
        3-​Quinolinecarboxylic acid, 4-​chloro-​, ethyl ester
        4-​Chloro-​quinoline-​3-​carboxylic acid ethyl ester; Ethyl 4-​chloro-​3-​quinolinecarboxylate; NSC 109461; NSC 136916 
 
Chemical Formula: C12H10ClNO2
Exact Mass: 235.04
Molecular Weight: 235.67
m/z: 235.04 (100.0%), 237.04 (32.4%), 236.04 (13.4%), 238.04 (4.2%)
Elemental Analysis: C, 61.16; H, 4.28; Cl, 15.04; N, 5.94; O, 13.58
 
InChI: InChI=1S/C12H10ClNO2/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,2H2,1H3
InChIKey: DWXQUAHMZWZXHP-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(C2=CC=CC=C2N=C1)Cl
 
Thermal Properties Value Condition Note
Boiling Point 128-129 °C Press: 0.2 Torr (1)CAS
Melting Point 51 °C   (3)CAS
Melting Point 46-47 °C   (1)CAS
Melting Point 44-45 °C   (4)CAS
Melting Point 40-42 °C   (5)IC
Melting Point 37 °C   (6)CAS

Specification

98%

References
  1. (1) Kaslow, C. E.; Journal of Organic Chemistry 1953, V18, P55-8 CAPLUS
  2. (2) Hoeglund, Iisa P. J.; Journal of Medicinal Chemistry 2006, V49(21), P6351-6363 CAPLUS
  3. (3) Takahashi, Torizo; Yakugaku Zasshi 1952, V72, P1112-14 CAPLUS
  4. (4) Markees, Diether G.; Journal of Organic Chemistry 1966, V31(12), P4253-5 CAPLUS
  5. (5) Takada, Susumu; Journal of Medicinal Chemistry 1988, V31(9), P1738-45 CAPLUS
  6. (6) Kermack, Wm. O.; Journal of the Chemical Society 1951, P1389-92 CAPLUS
Contact Us
TEL:  86-17758012822
FAX:  86-571-87759731
E-mail:sales@hzchempro.com
[ CLOSE ]