Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | N/A | |
Synonyms |
4-Thiazoleaceticacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-a-propylidene-, (Z)-; |
Article Data | 4 |
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 (CAS NO.86978-24-7) is used as intermediate for Cefcapene.
(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)- .