Methyl 3-amino-4-methylthiophene-2-carboxylate

2-Thiophenecarboxylic acid, 3-amino-4-methyl-, methyl ester 3-AMINO-4-METHYL-2-THIOPHENECARBOXYLIC ACID METHYL ESTER 3-AMINO-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER 3-AMINO-4-METHYLTHIOPHENECARBOXYLIC ACID METHYL ESTER EINECS 285-060-8 LABOTEST-BB LT00453517 M3A4MT2C Methyl 3-amino-4-methyl-2-thenoate METHYL 3-AMINO-4-METHYL-2-THIOPHENECARBOXYLATE Methyl 3-amino-4-methylthiophen-2-carboxylate Methyl-3-amino-4-methylthiophen-2-carboxylat Methyl3-amino-4-methylthiophene-2-carboxylate MFCD00051822

The Methyl 3-amino-4-methylthiophene-2-carboxylate with cas registry number of 85006-31-1 is also known as 3-Amino-4-methylthiophene-2-carboxylic acid methyl ester. It belongs to the following categories: Esters; Thiophenes & Benzothiophenes; Organic acids; API intermediates; Thiophen. It also has an EINECS registry number which is 285-060-8 with appearance of white to light yellow crystal powder. Besides, both its systematic name and IUPAC name are the same which is called methyl 3-amino-4-methylthiophene-2-carboxylate.

The physical properties about this chemical are: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.28; (6)ACD/BCF (pH 7.4): 23.29; (7)ACD/KOC (pH 5.5): 331.21; (8)ACD/KOC (pH 7.4): 331.27; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 45.47 cm³; (14)Molar Volume: 135.3 cm³; (15)Surface Tension: 49.3 dyne/cm; (16)Density: 1.264 g/cm³; (17)Flash Point: 146.5 °C; (18)Enthalpy of Vaporization: 56.01 kJ/mol; (19)Boiling Point: 318.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000357 mmHg at 25°C.

Preparation: this chemical can be made by 4-methyl-3-oxo-tetrahydro-thiophene-2-carboxylic acid methyl ester together with reagent MH₂OH . HCl and solvent acetonitrile. The reaction time is 5 hours.

Uses of 3-amino-4-methylthiophene-2-carboxylate: it can be used to synthetize 7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione with urea. The reaction occurs at temperature of 200 ℃ with solvent dimethylformamide. The reaction time is 90 min with 77% yield.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Hence, wear suitable protective clothing during using it. And avoid contact with skin and eyes. Do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1scc(c1N)C;
(2)InChI: InChI=1/C7H9NO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,8H2,1-2H3;
(3)InChIKey: YICRPERKKBDRSP-UHFFFAOYAE