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CAS Number: 53266-94-7
ethyl 2-(2-aminothiazol-4-yl)acetate

Structure

ethyl 2-(2-aminothiazol-4-yl)acetate
Name: ethyl 2-(2-aminothiazol-4-yl)acetate
Synonyms:
General Information
Product Number: 53266947
CAS Registry Number: 53266-94-7
Name:
4-​Thiazoleacetic acid, 2-​amino-​, ethyl ester
(2-​Amino-​1,​3-​thiazol-​4-​yl)​acetic acid ethyl ester; (2-​Amino-​4-​thiazolyl)​acetic acid ethyl ester; (2-​Amino-​thiazole-​4-​yl)​acetic acid ethyl ester; 2-​(2-​Aminothiazol-​4-​yl)​acetic acid ethyl ester; 2-​Amino-​4-​(carbethoxymethyl)​thiazole; 2-​Amino-​4-​(ethoxycarbonylmethy​l)​-​1,​3-​thiazole; 2-​Amino-​4-​[(ethoxycarbonyl)​methyl]​thiazole; 2-​Amino-​4-​thiazoleacetic acid ethyl ester; Ethyl (2-​amino-​1,​3-​thiazol-​4-​yl)​acetate; Ethyl 2-​(2-​aminothiazol-​4-​yl)​acetate; Ethyl 2-​amino-​4-​thiazoleacetate; Ethyl 2-​aminothiazol-​4-​ylacetate 
 
Chemical Formula: C7H10N2O2S
Exact Mass: 186.05
Molecular Weight: 186.23
m/z: 186.05 (100.0%), 187.05 (8.6%), 188.04 (4.5%)
Elemental Analysis: C, 45.15; H, 5.41; N, 15.04; O, 17.18; S, 17.22
 
InChI: InChI=1S/C7H10N2O2S/c1-2-11-6(10)3-5-4-12-7(8)9-5/h4H,2-3H2,1H3,(H2,8,9)
InChIKey: SHQNGLYXRFCPGZ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)CC1=CSC(=N1)N
 
Thermal Properties Value Condition Note
Melting Point 94-95 °C   (7)CAS
Melting Point 93 °C Solv: benzene (71-43-2) (8)CAS
Melting Point 93 °C Solv: ethanol (64-17-5) (9)IC
Melting Point 92-93 °C   (10)CAS

Specification

98%

References
  1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  2. (2) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  3. (3) Jazwinski, Jaroslaw; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry 1996, (3), P365-70 CAPLUS
  4. (4) Pastor-Navarro, Nuria; Analytical and Bioanalytical Chemistry 2004, V379(7-8), P1088-1099 CAPLUS
  5. (5) 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.
  6. (6) Alexandru, Maria-Gabriela; Central European Journal of Chemistry 2010, V8(3), P639-645 CAPLUS
  7. (7) Reid, Evans B.; Journal of the American Chemical Society 1951, V73, P1054-61 CAPLUS
  8. (8) Toan, Le Quang; Farmacia (Bucharest, Romania) 1962, V10(No. 1), P19-26 CAPLUS
  9. (9) Campaigne, E.; Journal of Heterocyclic Chemistry 1980, V17(6), P1255-7 CAPLUS
  10. (10) Ratusky, Josef; Chemicke Listy pro Vedu a Prumysl 1957, V51, P1091-1100 CAPLUS
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