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CAS Number: 948-03-8
methyl 1-hydroxy-2-naphthoate

Structure

methyl 1-hydroxy-2-naphthoate
Name: methyl 1-hydroxy-2-naphthoate
Synonyms:
General Information
Product Number: 948038

CAS Registry Number: 948-03-8

Name:

2-​Naphthalenecarboxyli​c acid, 1-​hydroxy-​, methyl ester
2-​Naphthoic acid, 1-​hydroxy-​, methyl ester (6CI,​7CI,​8CI); 1-​Hydroxy-​2-​carbomethoxynaphthal​ene; 2-​Methoxycarbonyl-​1-​naphthol; Methyl 1-​hydroxy-​2-​naphthalenecarboxyla​te; Methyl 1-​hydroxy-​2-​naphthoate 

 

Chemical Formula: C12H10O3
Exact Mass: 202.06
Molecular Weight: 202.21
m/z: 202.06 (100.0%), 203.07 (13.2%), 204.07 (1.4%)
Elemental Analysis: C, 71.28; H, 4.98; O, 23.74

 

InChI: InChI=1S/C12H10O3/c1-15-12(14)10-7-6-8-4-2-3-5-9(8)11(10)13/h2-7,13H,1H3
InChIKey: HMIBDRSTVGFJPB-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C2=CC=CC=C2C=C1)O

 

Thermal Properties Value Condition Note
Melting Point 217-220 °C   (4)CAS
Melting Point 78 °C   (10)CAS
Melting Point 77-79 °C   (3)CAS
Melting Point 76-77 °C Solv: ethanol (64-17-5) (11)CAS
Melting Point 76-77 °C Solv: ethanol (64-17-5) (12)IC
Melting Point 75-76 °C   (13)IC

 

Specification

98%

References
  1. (1) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  2. (2) Razniewska-Lazecka, G.; Magnetic Resonance in Chemistry 1986, V24(4), P365-7 CAPLUS
  3. (3) Cikotiene, Inga; Tetrahedron 2011, V67(4), P706-717 CAPLUS
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  5. (5) Jin, Long Fei; Acta Crystallographica, Section E: Structure Reports Online 2005, V61(5), Po1520-o1522 CAPLUS
  6. (6) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  7. (7) Alonso, Miguel E.; Journal of the Chemical Society, Chemical Communications 1984, (22), P1542-3 CAPLUS
  8. (8) Tamura, Yasumitsu; Chemical & Pharmaceutical Bulletin 1983, V31(8), P2691-7 CAPLUS
  9. (9) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  10. (10) Beyer, Hans; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1941, V74B, P98-106 CAPLUS
  11. (11) Rodionov, V. M.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1940, (No. 3), P421-5(in French, 425-6) CAPLUS
  12. (12) Broom, Nigel J. P.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1981, (2), P465-70 CAPLUS
  13. (13) Piccolo, Oreste; Tetrahedron 1986, V42(3), P885-91 CAPLUS
  14. (14) Bukac, Zbynek; Chemicky Prumysl 1956, V6, P254-5 CAPLUS
  15. (15) Tamura, Y.; Tetrahedron Letters 1981, V22(43), P4283-6 CAPLUS
  16. (16) Huang, Xian; Journal of Organic Chemistry 2007, V72(10), P3965-3968 CAPLUS
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