1,2-Diazenedicarboxylic Acid 1-Ethyl 2-(phenylmethyl) Ester - CAS 111508-33-9

Catalog:	BB068226
Product Name:	1,2-Diazenedicarboxylic Acid 1-Ethyl 2-(phenylmethyl) Ester
CAS:	111508-33-9
Synonyms:	Diazenedicarboxylic Acid Ethyl Phenylmethyl Ester

Technical Data

IUPAC Name:	benzyl N-ethoxycarbonyliminocarbamate
Description:	1,2-Diazenedicarboxylic Acid 1-Ethyl 2-(phenylmethyl) Ester is an intermediate used to synthesize Tetrahydro-1H-pyrazolo[1,2-a]pyridazine-1,3(2H)-dione (T296020) which is a reagent used to prepare alkylphenylpyrazolines, -pyrroles, -furans, -thiophenes, or -thiazines as herbicides.
Molecular Weight:	236.22
Molecular Formula:	C11H12N2O4
Canonical SMILES:	CCOC(=O)N=NC(=O)OCC1=CC=CC=C1
InChI:	InChI=1S/C11H12N2O4/c1-2-16-10(14)12-13-11(15)17-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:	CKJYLQGWZBDKBR-UHFFFAOYSA-N
References:	Maetzke, T., et al. PCT Int. Appl. (2001), WO 2001017972 A2 20010315.

Complexity:	285
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.07970687
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	236.07970687
Rotatable Bond Count:	5
Topological Polar Surface Area:	77.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	1
XLogP3:	2.8