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(Z)-2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid

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Name

(Z)-2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid

EINECS 430-100-3
CAS No. 86978-24-7 Density 1.279 g/cm3
PSA 116.76000 LogP 3.44110
Solubility N/A Melting Point 159-161 °C
Formula C13H18N2O4S Boiling Point N/A
Molecular Weight 298.363 Flash Point N/A
Transport Information N/A Appearance white solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 86978-24-7 ((Z)-2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid) Hazard Symbols N/A
Synonyms

4-Thiazoleaceticacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-a-propylidene-, (Z)-;

Article Data 4

(Z)-2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid Chemical Properties

Molecular Structure of (Z)-2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid (CAS NO.86978-24-7):

Systematic Name: (2Z)-2-{2-[(tert-Butoxycarbonyl)amino]-1,3-thiazol-4-yl}pent-2-enoic acid
Molecular Formula: C13H18N2O4S
Molecular Weight: 298.36
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 5 
Nominal Mass: 298
Average Mass: 298.358
Monoisotopic Mass: 298.098727
Polar Surface Area: 96.97 Å2
Index of Refraction: 1.583
Molar Refractivity: 77.97 cm3
Molar Volume: 233.1 cm3
Surface Tension: 52.3 dyne/cm
Density: 1.279 g/cm3
SMILES: O=C(OC(C)(C)C)Nc1nc(cs1)/C(=C/CC)C(=O)O
InChI: InChI=1/C13H18N2O4S/c1-5-6-8(10(16)17)9-7-20-11(14-9)15-12(18)19-13(2,3)4/h6-7H,5H2,1-4H3,(H,16,17)(H,14,15,18)/b8-6-
InChIKey: XIXNSLABECPEMI-VURMDHGXBJ
Std. InChI: InChI=1S/C13H18N2O4S/c1-5-6-8(10(16)17)9-7-20-11(14-9)15-12(18)19-13(2,3)4/h6-7H,5H2,1-4H3,(H,16,17)(H,14,15,18)/b8-6-
Std. InChIKey: XIXNSLABECPEMI-VURMDHGXSA-N

(Z)-2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid Uses

 (Z)-2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid (CAS NO.86978-24-7) is used as intermediate for Cefcapene.

(Z)-2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid Specification

 (Z)-2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid (CAS NO.86978-24-7), its Synonyms are 4-Thiazoleacetic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-a-propylidene-, (aZ)- ; 4-Thiazoleaceticacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-a-propylidene-, (Z)- .

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