(2R,3S)-α-Diazo-3-[(1R)-1-hydroxyethyl]-β,4-dioxo-2-azetidinebutanoic Acid (4-Nitrophenyl)methyl Ester - CAS 74288-39-4

Catalog:	BB068218
Product Name:	(2R,3S)-α-Diazo-3-[(1R)-1-hydroxyethyl]-β,4-dioxo-2-azetidinebutanoic Acid (4-Nitrophenyl)methyl Ester
CAS:	74288-39-4
Synonyms:	2R-[2α,3β(R*)]]-α-Diazo-3-(1-hydroxyethyl)-β,4-dioxo-(4-nitrophenyl)methyl Ester 2-Azetidinebutanoic Acid; 4-Nitrobenzyl 2-Diazo-4-((2R,3S)-3-((R)-1-hydroxyethyl)-4-oxoazetidin-2-yl)-3-oxobutanoate

Technical Data

IUPAC Name:	(4-nitrophenyl)methyl 2-diazo-4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate
Description:	(2R,3S)-α-Diazo-3-[(1R)-1-hydroxyethyl]-β,4-dioxo-2-azetidinebutanoic Acid (4-Nitrophenyl)methyl Ester is a reagent used in the synthesis of panipenem intermediate p-nitrobenzyl-2-oxo-carbapenam-3-carboxylate.
Molecular Weight:	376.31
Molecular Formula:	C16H16N4O7
Canonical SMILES:	CC(C1C(NC1=O)CC(=O)C(=[N+]=[N-])C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O
InChI:	InChI=1S/C16H16N4O7/c1-8(21)13-11(18-15(13)23)6-12(22)14(19-17)16(24)27-7-9-2-4-10(5-3-9)20(25)26/h2-5,8,11,13,21H,6-7H2,1H3,(H,18,23)/t8-,11-,13-/m1/s1
InChI Key:	WSVPCPKKQRAKMA-XTWCZFFVSA-N
References:	Chen, X., et al. Zhongguo Yaowu Huaxue Zazhi, 18, 119 (2008).

Complexity:	675
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	0
Exact Mass:	376.10189886
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	376.10189886
Rotatable Bond Count:	8
Topological Polar Surface Area:	141Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	1
XLogP3:	0.9