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CAS Number: 4507-13-5
ethyl 2-amino-5-ethylthiophene-3-carboxylate

Structure

ethyl 2-amino-5-ethylthiophene-3-carboxylate
Name: ethyl 2-amino-5-ethylthiophene-3-carboxylate
Synonyms:
General Information
Product Number: 4507135

CAS Registry Number 4507-13-5
Name:
3-?Thiophenecarboxylic acid, 2-?amino-?5-?ethyl-?, ethyl ester
Ethyl 2-amino-5-ethyl-3-thiophenecarboxylate
Ethyl 2-amino-5-ethylthiophene-3-carboxylate
NSC 159633

 

Chemical Formula: C9H13NO2S
Exact Mass: 199.07
Molecular Weight: 199.27
m/z: 199.07 (100.0%), 200.07 (10.8%), 201.06 (4.5%)

 

InChI:InChI=1S/C9H13NO2S/c1-3-6-5-7(8(10)13-6)9(11)12-4-2/h5H,3-4,10H2,1-2H3

InChI Key:WJZCEFNVWQJNQI-UHFFFAOYSA-N

Canonical SMILES:CCC1=CC(=C(S1)N)C(=O)OCC

 

Thermal Properties Value Condition Note
Melting Point 73 °C   (7)CAS
Melting Point 73 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (3)CAS
Melting Point 72-74 °C Solv: benzene (71-43-2) (4)CAS
Melting Point 72-73 °C   (8)CAS
Melting Point 70-72 °C   (9)CAS
Melting Point 67-68 °C   (10)CAS

Specification

98%

References
  1. (3) Mojtahedi, Mohammad M.; Synthetic Communications 2010, V40(14), P2067-2074 CAPLUS
  2. (4) Kathiravan, M. K.; Synthetic Communications 2007, V37(23), P4273-4279 CAPLUS
  3. (7) Sridhar, Madabhushi; Tetrahedron Letters 2007, V48(18), P3171-3172 CAPLUS
  4. (8) Hu, Yi; Heterocycles 2006, V68(2), P375-380 CAPLUS
  5. (9) Gangjee, Aleem; Journal of Medicinal Chemistry 2009, V52(15), P4892-4902 CAPLUS
  6. (10) Shvedov, V. I.; Zhurnal Organicheskoi Khimii 1965, V1(12), P2228-31 CAPLUS
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