Prop-2-en-1-yl benzyl(2-bromoethyl)carbamate

Base Information

Chemical Name:Prop-2-en-1-yl benzyl(2-bromoethyl)carbamate
CAS No.:111923-03-6
Molecular Formula:C13H16BrNO2
Molecular Weight:298.18
Hs Code.:
DSSTox Substance ID:DTXSID30555573
Wikidata:Q82436962
Mol file:111923-03-6.mol

Synonyms:111923-03-6;Prop-2-en-1-yl benzyl(2-bromoethyl)carbamate;DTXSID30555573

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Prop-2-en-1-yl benzyl(2-bromoethyl)carbamate

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:297.03644
Heavy Atom Count:17
Complexity:240

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCOC(=O)N(CCBr)CC1=CC=CC=C1

Technology Process of Prop-2-en-1-yl benzyl(2-bromoethyl)carbamate

There total 2 articles about Prop-2-en-1-yl benzyl(2-bromoethyl)carbamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

: 33538-02-2
N-(2-bromoethyl)benzylammonium bromide

: 2937-50-0
Allyl chloroformate

: 111923-03-6
<(allyloxy)carbonyl>benzyl(2-bromoethyl)amine

Guidance literature:: With potassium carbonate; In diethyl ether; water; at 0 ℃; for 0.5h;
DOI:10.1021/jo00249a011

Reference yield: 85.0%

: 104-63-2
N-Benzylethanolamine

: 111923-03-6
<(allyloxy)carbonyl>benzyl(2-bromoethyl)amine

Guidance literature:: DOI:10.1016/S0040-4039(00)95766-6

Reference yield:

: 111923-03-6
<(allyloxy)carbonyl>benzyl(2-bromoethyl)amine

: [2-(1-Benzo[1,3]dioxol-5-yl-5-bromo-4-oxo-cyclohex-2-enyl)-ethyl]-benzyl-carbamic acid allyl ester

Guidance literature:: Multi-step reaction with 3 steps

2: 1.) 33percent aq. HOAc, pyrrolidine, 2.) 1 N HCl / 1.) MeOH, RT, 24 h, 2.) 30 min

3: concd. H₂SO₄, phenyltrimethylammonium perbromide / ethyl acetate / 20 h / Ambient temperature

With pyrrolidine; hydrogenchloride; sulfuric acid; phenyltrimethylammonium tribromide; acetic acid; In ethyl acetate;
DOI:10.1021/jo00249a011