N-Benzyl-2-bromo-N-methylethanamine

Base Information

• Chemical Name: N-Benzyl-2-bromo-N-methylethanamine
• CAS No.: 53977-06-3
• Molecular Formula: C10H14BrN
• Molecular Weight: 228.12900
• DSSTox Substance ID: DTXSID70591394
• Wikidata: Q82485152
• Mol file: 53977-06-3.mol

Synonyms:53977-06-3;N-Benzyl-2-bromo-N-methylethanamine;starbld0009819;DTXSID70591394;AKOS010541893;BENZYL(2-BROMOETHYL)METHYLAMINE;N-Benzyl-2-bromo-N-methylethan-1-amine;EN300-180939

Chemical Property of N-Benzyl-2-bromo-N-methylethanamine

Chemical Property:

• Boiling Point: 246.6±23.0 °C(Predicted)
• PSA: 3.24000
• Density: 1.298±0.06 g/cm3(Predicted)
• LogP: 2.51330
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 227.03096
• Heavy Atom Count: 12
• Complexity: 110

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCBr)CC1=CC=CC=C1

Technology Process of N-Benzyl-2-bromo-N-methylethanamine

There total 1 articles about N-Benzyl-2-bromo-N-methylethanamine 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:

2-(N-benzyl-N-methyl)amino-1-ethanol (101-98-4) → benzyl-(2-bromo-ethyl)-methyl-amine (53977-06-3)

Guidance literature:

With hydrogen bromide;

DOI:10.1021/jm00341a017

Reference yield: 78.0%

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) + benzyl-(2-bromo-ethyl)-methyl-amine (53977-06-3) → 1-[2-(benzyl-methyl-amino)-ethyl]-1H-indole-3-carbaldehyde

Guidance literature:

Indole-3-carboxaldehyde; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.333333h;

benzyl-(2-bromo-ethyl)-methyl-amine; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃;

DOI:10.1021/ja1090854

Reference yield:

2,3-dihydro-2-phenyl-1,5-benzothiazepin-4(5H)-one (29476-22-0) + benzyl-(2-bromo-ethyl)-methyl-amine (53977-06-3) → 5-[2-(benzyl-methyl-amino)-ethyl]-2-phenyl-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one

Guidance literature:

With sodium amide; In toluene;

DOI:10.1021/jm00341a017

upstream raw materials:

2-(N-benzyl-N-methyl)amino-1-ethanol

Downstream raw materials:

2-[2-(Benzyl-methyl-amino)-ethylsulfanyl]-6-methyl-4-(3-nitro-phenyl)-1,4-dihydro-pyrimidine-5-carboxylic acid ethyl ester