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CAS Number: 53951-84-1
methyl quinoline-3-carboxylate

Structure

methyl quinoline-3-carboxylate
Name: methyl quinoline-3-carboxylate
Synonyms:
General Information
Product Number: 53951841

CAS Registry Number: 53951-84-1

Name:

3-​Quinolinecarboxylic acid, methyl ester
Methyl 3-​quinolinecarboxylate; NSC 86584 

 

Chemical Formula: C11H9NO2
Exact Mass: 187.06
Molecular Weight: 187.19
m/z: 187.06 (100.0%), 188.07 (12.1%), 189.07 (1.1%)
Elemental Analysis: C, 70.58; H, 4.85; N, 7.48; O, 17.09

 

InChI: InChI=1S/C11H9NO2/c1-14-11(13)9-6-8-4-2-3-5-10(8)12-7-9/h2-7H,1H3
InChIKey: CWRATHCADZOYAT-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC2=CC=CC=C2N=C1

 

Thermal Properties Value Condition Note
Melting Point 87-89 °C   (5)CAS
Melting Point 78-79 °C   (6)CAS
Melting Point 76-77 °C Solv: hexane (110-54-3); ethyl acetate (141-78-6) (2)CAS
Melting Point 76-77 °C Solv: hexane (110-54-3); ethyl acetate (141-78-6) (3)CAS
Melting Point 74-77 °C   (4)CAS
Melting Point 74-75 °C   (8)IC

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Kim, Hea Jung; Journal of Heterocyclic Chemistry 2011, V48(4), P965-972 CAPLUS
  3. (3) Han, Eun-Gu; Tetrahedron 2009, V65(46), P9616-9625 CAPLUS
  4. (4) Sa, Marcus M.; Journal of the Brazilian Chemical Society 2003, V14(6), P1005-1010 CAPLUS
  5. (5) Alatorre-Santamaria, Sergio; Tetrahedron: Asymmetry 2010, V21(18), P2307-2313 CAPLUS
  6. (6) Vaitilingam, Balasubramanian; Bioorganic & Medicinal Chemistry 2004, V12(15), P4179-4188 CAPLUS
  7. (7) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  8. (8) Bryce, Martin R.; Heterocycles 1983, V20(3), P489-95 CAPLUS
  9. (9) Uhle, Frederick C.; Journal of Organic Chemistry 1945, V10, P76-86 CAPLUS
  10. (10) Chiavarelli, Stefano; Gazzetta Chimica Italiana 1952, V82, P86-97 CAPLUS
  11. (11) O'Dell, David K.; Journal of Organic Chemistry 2003, V68(16), P6427-6430 CAPLUS
  12. (12) Heller, Stephen T.; Organic Letters 2010, V12(20), P4572-4575 CAPLUS
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