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CAS Number: 96929-05-4
2-(((tert-butoxycarbonyl)amino)methyl)-5-ethylthiazole-4-carboxylic acid

Structure

 2-(((tert-butoxycarbonyl)amino)methyl)-5-ethylthiazole-4-carboxylic acid
Name: 2-(((tert-butoxycarbonyl)amino)methyl)-5-ethylthiazole-4-carboxylic acid
Synonyms:
General Information
Product Number: 96929054

CAS Registry Number 96929-05-4
Name:
4-​Thiazolecarboxylic acid, 2-​[[[(1,​1-​dimethylethoxy)​carbonyl]​amino]​methyl]​-​, ethyl ester

 

Chemical Formula: C12H18N2O4S
Exact Mass: 286.10
Molecular Weight: 286.35
m/z: 286.10 (100.0%), 287.10 (14.7%), 288.09 (4.5%), 288.10 (1.0%)

 

InChI:InChI=1S/C12H18N2O4S/c1-5-17-10(15)8-7-19-9(14-8)6-13-11(16)18-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)

InChI Key:IIBLNWWFRAOZDR-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=CSC(=N1)CNC(=O)OC(C)(C)C

 

Thermal Properties Value Condition Note
Melting Point 133 °C   (2)IC
Melting Point 100-102 °C   (1)CAS
Melting Point 98-99 °C Solv: ethyl acetate (141-78-6); ligroine (8032-32-4) (4)CAS

Specification

98%
References
  1. (1) Thompson, Robert E.; Organic Letters 2011, V13(4), P680-683 CAPLUS
  2. (2) Bailly, Christian; Tetrahedron 1988, V44(18), P5833-43 CAPLUS
  3. (4) Xiao, Qiong; Journal of Asian Natural Products Research 2010, V12(11-12), P940-949 CAPLUS
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