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CAS Number: 22288-78-4
methyl 3-aminothiophene-2-carboxylate

Structure

 methyl 3-aminothiophene-2-carboxylate
Name: methyl 3-aminothiophene-2-carboxylate
Synonyms:
General Information
Product Number: 22288784
CAS Registry Number: 22288-78-4
Name:
2-​Thiophenecarboxylic acid, 3-​amino-​, methyl ester
3-​Amino-​2-​methoxycarbonylthiop​hene; 3-​Amino-​2-​thiophenecarboxylic acid methyl ester; 3-​Aminothiophen-​2-​carboxylic acid methyl ester; Methyl 3-​amino-​2-​thiophenecarboxylate; Methyl 3-​aminothiophene-​2-​carboxylate 
 
Chemical Formula: C6H7NO2S
Exact Mass: 157.02
Molecular Weight: 157.19
m/z: 157.02 (100.0%), 158.02 (7.7%), 159.02 (5.0%)
Elemental Analysis: C, 45.85; H, 4.49; N, 8.91; O, 20.36; S, 20.40
 
InChI: InChI=1S/C6H7NO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,7H2,1H3
InChIKey: TWEQNZZOOFKOER-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CS1)N
 
Thermal Properties Value Condition Note
Boiling Point 101 °C   (1)SRC
Boiling Point 100-102 °C Press: 0.1 Torr (2)CAS
Boiling Point 100-102 °C Press: 0.1 Torr (3)CAS
Melting Point 84-85 °C   (12)CAS
Melting Point 65.5 °C   (2)CAS
Melting Point 65.5 °C   (3)CAS

Specification

98%
References
  1. (1) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  2. (2) GB 837086 1960 CAPLUS
  3. (3) Fiesselmann, Hans; DE 1055007 1959 CAPLUS
  4. (4) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  5. (5) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  6. (6) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  7. (7) Bruix, Marta; Magnetic Resonance in Chemistry 1985, V23(5), P367-74 CAPLUS
  8. (8) Foister, Shane; Bioorganic & Medicinal Chemistry 2003, V11(20), P4333-4340 CAPLUS
  9. (9) 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.
  10. (10) Riviere-Baudet, M.; Journal of Organometallic Chemistry 1991, V409(1-2), P131-41 CAPLUS
  11. (11) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  12. (12) Ferro, Stefania; Heterocycles 2009, V78(4), P947-959 CAPLUS
  13. (13) Shi, Jie-hua; Zhejiang Gongye Daxue Xuebao 2004, V32(1), P25-28 CAPLUS
  14. (14) Takahashi, Tamotsu; JP 2003146986 A 2003 CAPLUS
  15. (15) Huddleston, Patrick R.; Synthetic Communications 1979, V9(8), P731-4 CAPLUS
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