N-Ethyl-4-bromobenzylamine

Base Information

• Chemical Name: N-Ethyl-4-bromobenzylamine
• CAS No.: 856795-95-4
• Molecular Formula: C₉H₁₂BrN
• Molecular Weight: 214.105
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID00405874
• Wikidata: Q82210604
• ChEMBL ID: CHEMBL4912427
• Mol file: 856795-95-4.mol

Synonyms:N-ETHYL-4-BROMOBENZYLAMINE;856795-95-4;N-(4-bromobenzyl)ethanamine;N-[(4-bromophenyl)methyl]ethanamine;[(4-bromophenyl)methyl](ethyl)amine;MFCD07404997;(4-bromobenzyl)ethylamine;CEDR-8-ENEEPOXIDE;SCHEMBL2552412;CHEMBL4912427;N-(4-bromobenzyl)-N-ethylamine;DTXSID00405874;RVGAYUIZZCACIV-UHFFFAOYSA-N;AMY20602;STK510872;AKOS000148296;AS-31579;SY002622;CS-0151967;FT-0746564;AN-465/42245892

Chemical Property of N-Ethyl-4-bromobenzylamine

Chemical Property:

• Vapor Pressure: 0.0174mmHg at 25°C
• Boiling Point: 254.3°C at 760 mmHg
• Flash Point: 107.6°C
• PSA: 12.03000
• Density: 1.307g/cm³
• LogP: 2.94950
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 213.01531
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

97% ^*data from raw suppliers

N-(4-Bromobenzyl)ethanamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNCC1=CC=C(C=C1)Br
• Uses: N-(4-Bromobenzyl)ethanamine is used in preparation of 2-Benzoyl-1,2,3,4-tetrahydroisoquinolin-7-ol and 2-Benzoyl-1,2,3,4-tetrahydroisoquinolin-7-yl Sulfamate compounds for treatment of hormone-dependent diseases.

Technology Process of N-Ethyl-4-bromobenzylamine

There total 3 articles about N-Ethyl-4-bromobenzylamine 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: 63.0%

1-(4-bromophenyl)-N,N-diethylmethanamine (4885-19-2) → N-ethyl-p-bromobenzylamine (856795-95-4)

Guidance literature:

With iodine; sodium carbonate; In chloroform; at 60 ℃; for 12h;

DOI:10.1016/j.tetlet.2015.10.044

Reference yield: 35.0%

N-isopropyl-N-ethyl-p-bromobenzylamine → N-(4-bromobenzyl)isopropylamine (60376-97-8) + N-ethyl-p-bromobenzylamine (856795-95-4)

Guidance literature:

With iodine; sodium carbonate; In chloroform; at 60 ℃; for 24h;

DOI:10.1016/j.tetlet.2015.10.044

Reference yield:

ethylamine (75-04-7,85404-22-4) + 1-bromomethyl-4-bromobenzene (589-15-1) → N-ethyl-p-bromobenzylamine (856795-95-4)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01523a059

upstream raw materials:

ethylamine

1-bromomethyl-4-bromobenzene

1-(4-bromophenyl)-N,N-diethylmethanamine

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