Ethyl 2-amino-4-methylthiophene-3-carboxylate

The 3-Thiophenecarboxylicacid, 2-amino-4-methyl-, ethyl ester, with the CAS registry number 43088-42-2, is also known as ZINC00080323. It belongs to the product category of Thiophene. This chemical's molecular formula is C₈H₁₁NO₂S and molecular weight is 185.051049. Its IUPAC name is called Ethyl 2-amino-4-methylthiophene-3-carboxylate.

Physical properties of 3-Thiophenecarboxylicacid, 2-amino-4-methyl-, ethyl ester: (1)ACD/LogP: 2.67; (2)ACD/LogD (pH 5.5): 2.67; (3)ACD/LogD (pH 7.4): 2.67; (4)ACD/BCF (pH 5.5): 63.28; (5)ACD/BCF (pH 7.4): 63.28; (6)ACD/KOC (pH 5.5): 677.61; (7)ACD/KOC (pH 7.4): 677.61; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 50.1 cm³; (13)Molar Volume: 151.8 cm³; (14)Surface Tension: 47.4 dyne/cm; (15)Density: 1.219 g/cm³; (16)Flash Point: 122.6 °C; (17)Enthalpy of Vaporization: 51.77 kJ/mol; (18)Boiling Point: 279.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00411 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-amino-5-(2,2-dimethyl-proπonyloxy)-4-methyl-thiophene-3-carboxylic acid ethyl ester. This reaction is a kind of Decarboxylation. It will need reagent 1M aq. HCl and solvent ethanol. The reaction time is 1 hour. The yield is about 85%.

Uses of 3-Thiophenecarboxylicacid, 2-amino-4-methyl-, ethyl ester: it can be used to produce 2-[3-(2-chloro-ethyl)-ureido]-4-methyl-thiophene-3-carboxylic acid ethyl ester by heating. This reaction will need solvent toluene with reaction time of 3 hours. The yield is about 77%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=C(SC=C1C)N
(2)InChI: InChI=1S/C8H11NO2S/c1-3-11-8(10)6-5(2)4-12-7(6)9/h4H,3,9H2,1-2H3
(3)InChIKey: ILYCZKOBLRJJSW-UHFFFAOYSA-N