Thiocyanic acid, [1-[(2-bromophenyl)methyl]-2-aziridinyl]methyl ester

Base Information

Chemical Name:Thiocyanic acid, [1-[(2-bromophenyl)methyl]-2-aziridinyl]methyl ester
CAS No.:832724-81-9
Molecular Formula:C11H11BrN2S
Molecular Weight:283.192
Hs Code.:
DSSTox Substance ID:DTXSID00457035
Nikkaji Number:J2.139.605B

Synonyms:832724-81-9;Thiocyanic acid, [1-[(2-bromophenyl)methyl]-2-aziridinyl]methyl ester;DTXSID00457035;[[1-(2-Bromobenzyl)aziridine-2-yl]methyl] thiocyanate

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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 Thiocyanic acid, [1-[(2-bromophenyl)methyl]-2-aziridinyl]methyl ester

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:281.98263
Heavy Atom Count:15
Complexity:263

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(N1CC2=CC=CC=C2Br)CSC#N

Technology Process of Thiocyanic acid, [1-[(2-bromophenyl)methyl]-2-aziridinyl]methyl ester

There total 4 articles about Thiocyanic acid, [1-[(2-bromophenyl)methyl]-2-aziridinyl]methyl ester 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: 96.0%

: 333-20-0
potassium thioacyanate

: 832724-76-2
2-(bromomethyl)-1-[(2-bromophenyl)methyl]aziridine

: 832724-81-9
1-(2-bromophenyl)methyl-2-(thiocyanatomethyl)aziridine

Guidance literature:: In N,N-dimethyl-formamide; at 70 ℃; for 20h;
DOI:10.1021/jo048486f

Reference yield:

: 6630-33-7
ortho-bromobenzaldehyde

: 832724-81-9
1-(2-bromophenyl)methyl-2-(thiocyanatomethyl)aziridine

Guidance literature:: Multi-step reaction with 4 steps

1: 98 percent / magnesium sulfate / CH₂Cl₂ / 1 h / Heating

2: 100 percent / bromine / CH₂Cl₂ / 0.5 h / 20 °C

3: 87 percent / sodium borohydride / methanol / 2 h / Heating

4: 96 percent / dimethylformamide / 20 h / 70 °C

With sodium tetrahydroborate; bromine; magnesium sulfate; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jo048486f

Reference yield:

: 183864-20-2
N-[(2-bromophenyl)methylidene]-N-(2-propenyl)amine

: 832724-81-9
1-(2-bromophenyl)methyl-2-(thiocyanatomethyl)aziridine

Guidance literature:: Multi-step reaction with 3 steps

1: 100 percent / bromine / CH₂Cl₂ / 0.5 h / 20 °C

2: 87 percent / sodium borohydride / methanol / 2 h / Heating

3: 96 percent / dimethylformamide / 20 h / 70 °C

With sodium tetrahydroborate; bromine; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jo048486f