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4-Thiazoleacetic acid,2-amino-a-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-,anhydride with O,O-diethyl hydrogen phosphorothioate, (Z)- (9CI) (162208-28-8)

Identification
Name:4-Thiazoleacetic acid,2-amino-a-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-,anhydride with O,O-diethyl hydrogen phosphorothioate, (Z)- (9CI)
Synonyms:O-(2-(2-Aminothiazol-4-yl)-2-((1-(tert-butoxycarbonyl)-1-methylethoxy)imino)acetyl) O',O''-diethyl phosphorothioate
CAS:162208-28-8
Molecular Formula: C17H28N3O7PS2
Molecular Weight: 481.52
InChI: InChI=1/C17H28N3O7PS2/c1-8-23-28(29,24-9-2)26-13(21)12(11-10-30-15(18)19-11)20-27-17(6,7)14(22)25-16(3,4)5/h10H,8-9H2,1-7H3,(H2,18,19)/b20-12-
Molecular Structure: (C17H28N3O7PS2) O-(2-(2-Aminothiazol-4-yl)-2-((1-(tert-butoxycarbonyl)-1-methylethoxy)imino)acetyl) O',O''-diethyl p...
Properties
Density:1.34
Refractive index:1.563
Specification:

  Diethyl thiophosphoryl-(Z)-2-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl)isopropoxyiminoacetate , with cas registry number of 162208-28-8, is abbreviated as DABA . It is a kind of intermediates which can be used in the manufacture of Ceftazidime and Aztreonam .

 As a chemical, it has the systematic name which is tert-butyl (7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-ethoxy-10,10-dimethyl-6-oxo-3,5,9-trioxa-8-aza-4-phosphaundec-7-en-11-oate 4-sulfide . There are some characters, which can be used to convert to its structure, include SMILES: CCOP(=S)(OCC)OC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)c1csc(n1)N, InChI: InChI=1/C17H28N3O7PS2/c1-8-23-28(29,24-9-2)26-13(21)12(11-10-30-15(18)19-11)20-27-17(6,7)14(22)25-16(3,4)5/h10H,8-9H2,1-7H3,(H2,18,19)/b20-12-, and InChIKey: JGMHZIHMNAXXPH-NDENLUEZBQ. Besides these, its bonds is also useful which are H bond acceptors: 10, H bond donors: 2, and Freely Rotating Bonds: 13.

 The physical properties of Diethyl thiophosphoryl-(Z)-2-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl)isopropoxyiminoacetate include: (1) Index of Refraction: 1.563, (2) Molar Refractivity: 116.78 cm3, (3) Molar Volume: 359 cm3, (4) Surface Tension: 46.4 dyne/cm, (5) Enthalpy of Vaporization: 81.85 kJ/mol, (6) Vapour Pressure: 9.26E-12 mmHg at 25°C.

  Diethyl thiophosphoryl-(Z)-2-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl)isopropoxyiminoacetate can be obtained in the market from suppliers for example, APAC Pharmaceutical, LLC, Bosche Scientific LLC, and OChem Incorporation.

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