Dibenzyl azodicarboxylate - CAS 2449-05-0

Name: Dibenzyl azodicarboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018505
Product Name:	Dibenzyl azodicarboxylate
CAS:	2449-05-0
Synonyms:	benzyl (NE)-N-phenylmethoxycarbonyliminocarbamate

Technical Data

IUPAC Name:	benzyl N-phenylmethoxycarbonyliminocarbamate
Description:	Dibenzyl azodicarboxylate (CAS# 2449-05-0) is a reagent used in the synthesis of Minocycline-d6 (M344797). Minocycline-d6 is a labeled second generation tetracycline antibiotic. Antibacterial.
Molecular Weight:	298.29
Molecular Formula:	C16H14N2O4
Canonical SMILES:	C1=CC=C(C=C1)COC(=O)N=NC(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2/b18-17+
InChI Key:	IRJKSAIGIYODAN-ISLYRVAYSA-N
Boiling Point:	456.8 °C at 760 mmHg
Purity:	Min. 98 %
Density:	1.19 g/cm³
Appearance:	Dry powder
MDL:	MFCD00016737
LogP:	4.11220

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
CN-113248410-A	Preparation method of silver-mediated N-arylhydrazide compound	20210525
CN-112574057-A	Method for synthesizing minocycline hydrochloride	20210125
CN-112679426-A	Intermediate compound for synthesis of nitrogen-containing heterocycle and preparation method and application thereof	20201230
CN-112645832-A	Preparation method of 7-amino-6-demethyl-6-deoxytetracycline and minocycline hydrochloride	20201222
CN-112409253-A	Method for synthesizing chiral alpha-tertiary amine by catalytic kinetic resolution	20201127

PMID	Publication Date	Title	Journal
18788740	20081016	General synthesis of C-glycosyl amino acids via proline-catalyzed direct electrophilic alpha-amination of C-glycosylalkyl aldehydes	Organic letters
17955557	20070101	Stereochemical consequences of threefold symmetry in asymmetric catalysis: distorting C3 Chiral 1,1,1-tris(oxazolinyl)ethanes ('trisox') in CuII Lewis acid catalysts	Chemistry (Weinheim an der Bergstrasse, Germany)
15727461	20050303	Total synthesis of LFA-1 antagonist BIRT-377 via organocatalytic asymmetric construction of a quaternary stereocenter	Organic letters
15200318	20040624	Cu- and Pd-catalyzed asymmetric one-pot tandem addition-cyclization reaction of 2-(2',3'-alkadienyl)-beta-keto esters, organic halides, and dibenzyl azodicarboxylate: an effective protocol for the enantioselective synthesis of pyrazolidine derivatives	Organic letters

Complexity:	350
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	298.09535693
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	298.09535693
Rotatable Bond Count:	6
Topological Polar Surface Area:	77.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	1
XLogP3:	3.9