N-(2-bromobenzyl)-N-ethylethanamine

Base Information

• Chemical Name: N-(2-bromobenzyl)-N-ethylethanamine
• CAS No.: 91428-19-2
• Molecular Formula: C11H16BrN
• Molecular Weight: 242.159
• DSSTox Substance ID: DTXSID50435363
• Wikidata: Q82250235
• Mol file: 91428-19-2.mol

Synonyms:N-(2-bromobenzyl)-N-ethylethanamine;91428-19-2;(2-Bromo-benzyl)-diethyl-amine;N-[(2-bromophenyl)methyl]-N-ethylethanamine;N,N-DIETHYL-2-BROMOBENZYLAMINE;(2-Bromobenzyl)-diethylamine;SCHEMBL4049148;DTXSID50435363;UWEZDHCFQTZVMZ-UHFFFAOYSA-N;2-(diethylaminomethyl)phenyl bromide;MFCD08276026;AKOS009027433;AM87421;N10121

Chemical Property of N-(2-bromobenzyl)-N-ethylethanamine

Chemical Property:

• Boiling Point: 130-134 °C(Press: 17 Torr)
• PKA: 9.29±0.25(Predicted)
• PSA: 3.24000
• Density: 1.240±0.06 g/cm3(Predicted)
• LogP: 3.29090
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 241.04661
• Heavy Atom Count: 13
• Complexity: 134

Purity/Quality:

97% ^*data from raw suppliers

(2-Bromobenzyl)-diethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC1=CC=CC=C1Br

Technology Process of N-(2-bromobenzyl)-N-ethylethanamine

There total 2 articles about N-(2-bromobenzyl)-N-ethylethanamine 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: 99.0%

diethylamine (109-89-7) + 1-Bromo-2-bromomethyl-benzene (3433-80-5) → N‐(2‐bromobenzyl)‐N-ethylethanamine (91428-19-2)

Guidance literature:

In benzene; a) RT, 12 h, b) reflux, 2 h;

DOI:10.1002/jlcr.2580360711

Reference yield: 96.0%

2-bromo-N,N-diethylbenzamide (76041-86-6) → N‐(2‐bromobenzyl)‐N-ethylethanamine (91428-19-2)

Guidance literature:

With sodium tetrahydroborate; titanium tetrachloride; In 1,2-dimethoxyethane; for 14h; Ambient temperature;

DOI:10.1055/s-1980-29174

Reference yield: 84.0%

N‐(2‐bromobenzyl)‐N-ethylethanamine (91428-19-2) + dimethyl acetylenedicarboxylate (762-42-5) + para-chlorobenzoic acid (74-11-3) → 2-bromobenzyl 4-chlorobenzoate (1401317-74-5) + 2-Diaethylamino-maleinsaeure-dimethylester, 2-Diaethylamino-fumarsaeure-dimethylester (98033-35-3)

Guidance literature:

In dichloromethane; at 20 ℃; for 14h;

DOI:10.1016/j.tet.2012.08.024

upstream raw materials:

2-bromo-N,N-diethylbenzamide

diethylamine

1-Bromo-2-bromomethyl-benzene

Downstream raw materials:

PdBr(ortho-C₆H₄(CH₂N(C₂H₅)2))(P(C₆H₅)3)

trans-PdBr(ortho-C₆H₄(CH₂N(C₂H₅)2))(P(C₆H₅)3)2

[2-(Et₂NCH₂)C₆H₄]2Se₂

2-bromobenzyl 4-chlorobenzoate

Refernces

• 1、 Bhabak, Krishna P.,Mugesh, Govindasamy. "A simple and efficient strategy to enhance the antioxidant activities of amino-substituted glutathione peroxidase mimics". supporting information; experimental part. p. 8640 - 8651. Retrieved 2009/10/24.
• 2、 Branger,Garreau,Frangin,Chalon,Dubois,Dognon,Ombetta-Goka,Besnard,Guilloteau. "Radioiodinated analogs of xylamine: N-(2-chloroethyl)-N-ethyl-2-[125I]iodobenzylamine and N,N-diethyl-2-[125I)iodo benzylamine as potential tools for monoamine uptake exploration by SPECT". . p. 685 - 699. Retrieved 2007/10/02.