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CAS Number: 77156-78-6
ethyl 4-hydroxy-6-methoxyquinoline-3-carboxylate

Structure

ethyl 4-hydroxy-6-methoxyquinoline-3-carboxylate
Name: ethyl 4-hydroxy-6-methoxyquinoline-3-carboxylate
Synonyms:
General Information
Product Number: 77156786
CAS Registry Number: 77156-78-6
Name:
3-​Quinolinecarboxylic acid, 4-​hydroxy-​6-​methoxy-​, ethyl ester
4-​Hydroxy-​6-​methoxyquinoline-​3-​carboxylic acid ethyl ester; Ethyl 4-​hydroxy-​6-​(methyloxy)​-​3-​quinolinecarboxylate; Ethyl 4-​hydroxy-​6-​methoxy-​3-​quinolinecarboxylate; NSC 196907; NSC 21071 
 
Chemical Formula: C13H13NO4
Exact Mass: 247.08
Molecular Weight: 247.25
m/z: 247.08 (100.0%), 248.09 (14.4%), 249.09 (1.8%)
Elemental Analysis: C, 63.15; H, 5.30; N, 5.67; O, 25.88
 
InChI: InChI=1S/C13H13NO4/c1-3-18-13(16)10-7-14-11-5-4-8(17-2)6-9(11)12(10)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKey: VNGGYIBIGOOVNP-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)OC
 
Thermal Properties Value Condition Note
Melting Point 280-283 °C   (1)CAS
Melting Point 280-281 °C   (3)CAS
Melting Point 274-277 °C   (4)CAS
Melting Point See full text   (5)CAS

Specification

98%

References
  1. (1) Hanna-Elias, Amir; Australian Journal of Chemistry 2009, V62(2), P150-156 CAPLUS
  2. (2) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  3. (3) Schofield, K.; Journal of the Chemical Society 1946, P1033-5 CAPLUS
  4. (4) Price, Charles C.; Journal of the American Chemical Society 1946, V68, P1204-8 CAPLUS
  5. (5) Geschickter, Charles F.; US 2719848 1955 CAPLUS
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