Aziridine, 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]-

Base Information

• Chemical Name: Aziridine, 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]-
• CAS No.: 156697-68-6
• Molecular Formula: C10H11BrClN
• Molecular Weight: 260.561
• DSSTox Substance ID: DTXSID70450174
• Nikkaji Number: J848.975K
• Mol file: 156697-68-6.mol

Synonyms:156697-68-6;2-(bromomethyl)-1-(4-chlorobenzyl)aziridine;2-(bromomethyl)-1-[(4-chlorophenyl)methyl]aziridine;Aziridine, 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]-;DTXSID70450174;1-(4-Chlorobenzyl)-2-(bromomethyl)aziridine;2-Bromomethyl-1-(4-chloro-benzyl)-aziridine

Chemical Property of Aziridine, 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]-

Chemical Property:

• PSA: 3.01000
• LogP: 2.85700
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 258.97634
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N1CC2=CC=C(C=C2)Cl)CBr

Technology Process of Aziridine, 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]-

There total 6 articles about Aziridine, 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]- 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: 97.0%

2,3-dibromo-N-(4-chlorobenzylidene)propan-1-amine (156697-72-2) → 2-(bromomethyl)-1-<(4-chlorophenyl)methyl>aziridine (156697-68-6)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 2h; Heating;

DOI:10.1039/C39940001221

Reference yield:

N-(4-chlorobenzylidene)-2,3-dibromopropylamine (188818-03-3) → 2-(bromomethyl)-1-<(4-chlorophenyl)methyl>aziridine (156697-68-6)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 2h; Yield given; Heating;

DOI:10.1021/jo962351v

Reference yield:

N-allyl-1-(4-chlorophenyl)methanimine (131480-14-3) → 2-(bromomethyl)-1-<(4-chlorophenyl)methyl>aziridine (156697-68-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂ / CH₂Cl₂

2: NaBH₄ / methanol / Heating

With sodium tetrahydroborate; bromine; In methanol; dichloromethane;

DOI:10.1055/s-2005-864801

upstream raw materials:

2,3-dibromo-N-(4-chlorobenzylidene)propan-1-amine

N-(4-chlorobenzylidene)-2,3-dibromopropylamine

4-chlorobenzaldehyde

N-allyl-1-(4-chlorophenyl)methanimine

Downstream raw materials:

N-(4-chlorobenzyl)prop-2-en-1-amine

1-p-chlorobenzyl-2-methyleneaziridine

1-[(4-chlorophenyl)methyl]-2-(2-cyanoethyl)aziridine

2-[(4-chlorobenzyl)amino]pentanedinitrile