Name: Diethyl thiophosphoryl-(Z)-2-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl)isopropoxyiminoacetate
SKU: 162208-28-8

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Basic Information

Molecular Structure:
CAS No.:	162208-28-8
Name:	Diethyl thiophosphoryl-(Z)-2-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl)isopropoxyiminoacetate

Formula:	C₁₇H₂₈N₃O₇PS₂
Molecular Weight:	481.52
Synonyms:	4-THIAZOLEACETIC ACID, 2-AMINO-ALPHA-[[2-(1,1-DIMETHYLETHOXY)-1,1-DIMETHYL-2-OXOETHOXY]IMINO]-, ANHYDRIDE WITH O,O-DIETHYL HYDROGEN PHOSPHOROTHIOATE;O,O-Diethylthiophosphoryl (Z) -2-(2-Amino-Thiazol-4-Yl)-2-(1- T -Butoxycarbonyl-1-Methyl)Ethoxyiminoacetate;DABA:O,O-DIETHYLTHIOPHOSPHORYL ( Z ) -2-(2-AMINOTHIAZOL-4-YL)-2-(1- T -BUTOXYCARBONYL-1-METHYL)ETHOXYIMINOACETATE;O,O-Diethylthiophosphoryl(Z)-2-(2-Aminothiazol-4-yl)-2-(l-t-Butoxycarbonyl-l-Methyl)Ethoxyiminoacetate;O,O-Diethylthiophosphoryl(Z)-2-(2-aminothiazol-4-yl)-2-(1-tert-butoxycarbonyl-1-methyl)ethoxyiminoacetate;Diethyl thiophosphoryl-(Z)-2-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl)-isopropoxyimino acetate;O-(2-(2-Aminothiazol-4-yl)-2-((1-(tert-butoxycarbonyl)-1-methylethoxy)imino)acetyl) O,O-diethyl phosphorothioate;4-Thiazoleacetic acid, 2-amino-alpha-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-, anhydride with o,o-diethyl hydrogen phosphorothioate
Density:	1.34
Boiling Point:	540.8 °C at 760 mmHg
Flash Point:	280.8 °C
PSA:	201.70000
LogP:	4.63880

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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.