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Ethyl 2-formamidothiazol-4-acetate

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Name

Ethyl 2-formamidothiazol-4-acetate

EINECS 265-300-8
CAS No. 64987-05-9 Density 1.354 g/cm3
PSA 96.53000 LogP 1.52590
Solubility N/A Melting Point 130-132 °C(lit.)
Formula C8H10N2O3S Boiling Point 341.4 °C at 760 mmHg
Molecular Weight 214.245 Flash Point 160.3 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 64987-05-9 (Ethyl 2-formamidothiazol-4-acetate) Hazard Symbols IrritantXi
Synonyms

4-(Carbethoxymethyl)-2-formamidothiazole;Ethyl [2-(formylamino)-1,3-thiazol-4-yl]acetate;

Article Data 8

Ethyl 2-formamidothiazol-4-acetate Specification

The 4-Thiazoleacetic acid,2-(formylamino)-, ethyl ester, with the CAS registry number 64987-05-9, is also known as 4-(Carbethoxymethyl)-2-formamidothiazole. It belongs to the product category of Pharmaceutical Intermediates. Its EINECS number is 265-300-8. This chemical's molecular formula is C8H10N2O3S and molecular weight is 214.24. What's more, its systematic name is ethyl [2-(formylamino)-1,3-thiazol-4-yl]acetate. It is used as an intermediate of cephalosporin drugs.

Physical properties of 4-Thiazoleacetic acid,2-(formylamino)-, ethyl ester are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.29; (6)ACD/BCF (pH 7.4): 11.29; (7)ACD/KOC (pH 5.5): 197.3; (8)ACD/KOC (pH 7.4): 197.3; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 87.74 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 53.11 cm3; (15)Molar Volume: 158.2 cm3; (16)Polarizability: 21.05×10-24cm3; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.354 g/cm3; (19)Flash Point: 160.3 °C; (20)Enthalpy of Vaporization: 58.5 kJ/mol; (21)Boiling Point: 341.4 °C at 760 mmHg; (22)Vapour Pressure: 8.07E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by (2-amino-thiazol-4-yl)-acetic acid ethyl ester and acetic formic anhydride by external cooling. The reaction time is 1 hour. The yield is about 91%.

4-Thiazoleacetic acid,2-(formylamino)-, ethyl ester can be prepared by (2-amino-thiazol-4-yl)-acetic acid ethyl ester and acetic formic anhydride by external cooling

Uses of 4-Thiazoleacetic acid,2-(formylamino)-, ethyl ester: it can be used to produce (2-formylamino-3-oxy-thiazol-4-yl)-acetic acid ethyl ester. It will need reagent 85% m-chloroperbenzoic acid and solvent CHCl3 with the reaction time of 48 hours. The yield is about 55%.

4-Thiazoleacetic acid,2-(formylamino)-, ethyl ester can be used to produce (2-formylamino-3-oxy-thiazol-4-yl)-acetic acid ethyl ester

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CNc1nc(cs1)CC(=O)OCC
(2)Std. InChI: InChI=1S/C8H10N2O3S/c1-2-13-7(12)3-6-4-14-8(10-6)9-5-11/h4-5H,2-3H2,1H3,(H,9,10,11)
(3)Std. InChIKey: UAGSMUJDTUOTFP-UHFFFAOYSA-N 

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