Ethyl 2-Amino-5-methyl-3-thiophenecarboxylate - CAS 4815-32-1
Catalog: |
BB026506 |
Product Name: |
Ethyl 2-Amino-5-methyl-3-thiophenecarboxylate |
CAS: |
4815-32-1 |
Synonyms: |
2-amino-5-methyl-3-thiophenecarboxylic acid ethyl ester; ethyl 2-amino-5-methylthiophene-3-carboxylate |
IUPAC Name: | ethyl 2-amino-5-methylthiophene-3-carboxylate |
Description: | Ethyl 2-Amino-5-methyl-3-thiophenecarboxylate (CAS# 4815-32-1) is a useful intermediate for the Gewald synthesis of 2-aminothiophenes. |
Molecular Weight: | 185.24 |
Molecular Formula: | C8H11NO2S |
Canonical SMILES: | CCOC(=O)C1=C(SC(=C1)C)N |
InChI: | InChI=1S/C8H11NO2S/c1-3-11-8(10)6-4-5(2)12-7(6)9/h4H,3,9H2,1-2H3 |
InChI Key: | AYBUNZGJQVYGTM-UHFFFAOYSA-N |
Boiling Point: | 292.6 ℃ at 760 mmHg |
Density: | 1.219 g/cm3 |
Solubility: | Other solvents(Soluble) : Hot methanol |
MDL: | MFCD01922142 |
LogP: | 2.39660 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110590806-A | Chalcone analogue containing thieno [2,3-d ] pyrimidine-2-yl and preparation method and application thereof | 20190927 |
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Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.05104977 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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