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CAS Number: 88534-50-3
ethyl 3-amino-5-phenylthiophene-2-carboxylate

Structure

 ethyl 3-amino-5-phenylthiophene-2-carboxylate
Name: ethyl 3-amino-5-phenylthiophene-2-carboxylate
Synonyms:
General Information
Product Number: 88534503

CAS Registry Number 88534-50-3
Name:
2-?Thiophenecarboxylic acid, 3-?amino-?5-?phenyl-?, ethyl ester
Ethyl 3-amino-5-phenylthiophene-2-carboxylate

 

Chemical Formula: C13H13NO2S
Exact Mass: 247.07
Molecular Weight: 247.31
m/z: 247.07 (100.0%), 248.07 (15.1%), 249.06 (4.5%), 249.07 (1.5%)

 

InChI:InChI=1S/C13H13NO2S/c1-2-16-13(15)12-10(14)8-11(17-12)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3

InChI Key:ALFMTFUIVUKCCM-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N

 

Thermal Properties Value Condition Note
Melting Point 104-105 °C   (2)CAS
Melting Point 104-105 °C Solv: ethanol (64-17-5) (3)CAS
Melting Point 102-104 °C Solv: ethanol (64-17-5) (4)IC
Melting Point 92.1-92.7 °C   (1)CAS

Specification

98%
References
  1. (1) Murai, Masahito; Chemical Communications (Cambridge, United Kingdom) 2011, V47(8), P2375-2377 CAPLUS
  2. (2) GB 837086 1960 CAPLUS
  3. (3) Fiesselmann, Hans; DE 1055007 1959 CAPLUS
  4. (4) Schollberg, K.; Journal fuer Praktische Chemie (Leipzig) 1983, V325(5), P876-9 CAPLUS
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