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CAS Number: 42753-75-3
methyl 5-amino-2-hydroxybenzoate

Structure

methyl 5-amino-2-hydroxybenzoate
Name: methyl 5-amino-2-hydroxybenzoate
Synonyms:
General Information
Product Number: 42753753
CAS Registry Number: 42753-75-3
Name:
        Benzoic acid, 5-​amino-​2-​hydroxy-​, methyl ester
        5-​Amino-​2-​hydroxybenzoic acid methyl ester; Methyl 2-​hydroxy-​5-​aminobenzoate; Methyl 5-​amino-​2-​hydroxybenzoate; Methyl 5-​aminosalicylate; Methyl m-​aminosalicylate 
 
Chemical Formula: C8H9NO3
Exact Mass: 167.06
Molecular Weight: 167.16
m/z: 167.06 (100.0%), 168.06 (9.2%)
Elemental Analysis: C, 57.48; H, 5.43; N, 8.38; O, 28.71
 
InChI: InChI=1S/C8H9NO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,9H2,1H3
InChIKey: MXUHMQZOATZRIK-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CC(=C1)N)O
 
Thermal Properties Value Condition Note
Melting Point 104 °C   (6)CAS
Melting Point 97-98 °C   (7)CAS
Melting Point 96-97 °C   (2)CAS
Melting Point 88-91 °C Solv: ligroine (8032-32-4) (4)CAS

Specification

98%

References
  1. (1) Yoon, Jieun; Bioorganic & Medicinal Chemistry Letters 2010, V20(13), P3930-3935 CAPLUS
  2. (2) Schmidt, Bernd; Advanced Synthesis & Catalysis 2010, V352(14+15), P2463-2473 CAPLUS
  3. (3) Yoon, Jieun; Bioorganic & Medicinal Chemistry Letters 2011, V21(7), P1953-1957 CAPLUS
  4. (4) Bailey, Mark A.; Biochemical and Biophysical Research Communications 2004, V317(4), P1155-1158 CAPLUS
  5. (5) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  6. (6) Gindy, Munir; Monatshefte fuer Chemie 1963, V94(1), P285-9 CAPLUS
  7. (7) Sus, Oskar; Annalen der Chemie, Justus Liebigs 1956, V598, P123-38 CAPLUS
  8. (8) Curley, Robert W., Jr.; WO 2003003987 A2 2003 CAPLUS
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