(Z)-2-(2-Amino-4-thiazolyl)-2-[[[1-(tert-butoxy)-2-methyl-1-oxo-2-propyl]oxy]imino]acetic Acid - CAS 86299-47-0
Catalog: |
BB037883 |
Product Name: |
(Z)-2-(2-Amino-4-thiazolyl)-2-[[[1-(tert-butoxy)-2-methyl-1-oxo-2-propyl]oxy]imino]acetic Acid |
CAS: |
86299-47-0 |
Synonyms: |
(2Z)-2-(2-amino-4-thiazolyl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid; (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid |
IUPAC Name: | (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid |
Description: | (Z)-2-(2-Amino-4-thiazolyl)-2-[[[1-(tert-butoxy)-2-methyl-1-oxo-2-propyl]oxy]imino]acetic Acid (CAS# 86299-47-0) is an intermediate used in the process for the manufacture of Ceftazidime (C244100). |
Molecular Weight: | 329.37 |
Molecular Formula: | C13H19N3O5S |
Canonical SMILES: | CC(C)(C)OC(=O)C(C)(C)ON=C(C1=CSC(=N1)N)C(=O)O |
InChI: | InChI=1S/C13H19N3O5S/c1-12(2,3)20-10(19)13(4,5)21-16-8(9(17)18)7-6-22-11(14)15-7/h6H,1-5H3,(H2,14,15)(H,17,18)/b16-8- |
InChI Key: | FNRZBOJFRDVEOG-PXNMLYILSA-N |
Boiling Point: | 487.8 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
Solubility: | >49.4 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD06411064 |
LogP: | 2.23210 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020339507-A1 | Methods of synthesizing aztreonam derivatives | 20190425 |
WO-2020219258-A1 | Methods of synthesizing aztreonam derivatives | 20190425 |
WO-2020204715-A1 | Prodrug inhibitors | 20190403 |
WO-2019194306-A1 | Novel penam derivatives or salts thereof, pharmaceutical compositions and use thereof | 20180406 |
EP-3778609-A1 | Novel penam derivatives or salts thereof, pharmaceutical compositions and use thereof | 20180406 |
Complexity: | 473 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 329.10454189 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 329.10454189 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 152 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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