(4-Bromobenzyl)dimethylamine

Base Information

• Chemical Name: (4-Bromobenzyl)dimethylamine
• CAS No.: 6274-57-3
• Molecular Formula: C9H12BrN
• Molecular Weight: 214.105
• Hs Code.: 2921499090
• European Community (EC) Number: 815-955-6
• NSC Number: 37488
• DSSTox Substance ID: DTXSID80978379
• Nikkaji Number: J1.319.089E
• Wikidata: Q82963741
• Mol file: 6274-57-3.mol

Synonyms:6274-57-3;(4-BROMOBENZYL)DIMETHYLAMINE;1-(4-bromophenyl)-n,n-dimethylmethanamine;4-Bromo-N,N-dimethylbenzylamine;(4-Bromo-benzyl)-dimethyl-amine;Benzenemethanamine, 4-bromo-N,N-dimethyl-;4-(Bromobenzyl)dimethylamine;NSC37488;[(4-bromophenyl)methyl]dimethylamine;4-bromodimethylbenzylamine;4-Bromobenzyldimethylamine;SCHEMBL399795;n,n-dimethyl-4-bromobenzylamine;DTXSID80978379;BCP23786;(4-Bromobenzyl)dimethylamine,4-(N,N-Dimethylaminomethyl)bromobenzene;MFCD00032473;NSC-37488;4-(Dimethylaminomethyl)phenyl bromide;AKOS003962420;AB01531;AM87107;PS-4881;AC-17982;N,N-dimethyl-(4-bromophenyl)methaneamine;CS-0186251;FT-0737445;4-(N,N-DIMETHYLAMINOMETHYL)BROMOBENZENE;D97623

Chemical Property of (4-Bromobenzyl)dimethylamine

Chemical Property:

• Vapor Pressure: 0.118mmHg at 25°C
• Melting Point: 165-167 °C
• Refractive Index: 1.552
• Boiling Point: 219.6 °C at 760 mmHg
• PKA: 8.56±0.28(Predicted)
• Flash Point: 91.1 °C
• PSA: 3.24000
• Density: 1.32 g/cm³
• LogP: 2.51070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 213.01531
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-N,N-dimethylbenzylamine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=CC=C(C=C1)Br

Technology Process of (4-Bromobenzyl)dimethylamine

There total 18 articles about (4-Bromobenzyl)dimethylamine 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%

dimethyl amine (124-40-3) + 1-bromomethyl-4-bromobenzene (589-15-1) → (4-bromobenzyl)dimethylamine (6274-57-3)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 60 ℃; for 24h;

DOI:10.1016/j.tet.2010.03.039

Reference yield: 98.0%

4-bromo-N,N-dimethylbenzamide (18469-37-9) → (4-bromobenzyl)dimethylamine (6274-57-3)

Guidance literature:

With iron pentacarbonyl; 1,1,3,3-Tetramethyldisiloxane; In toluene; at 100 ℃; for 25.5h; Inert atmosphere;

DOI:10.1002/anie.200905025

Reference yield: 96.0%

4-bromo-benzaldehyde (1122-91-4) + dimethyl amine (124-40-3) → (4-bromobenzyl)dimethylamine (6274-57-3)

Guidance literature:

4-bromo-benzaldehyde; dimethyl amine; With titanium(IV) isopropylate; In methanol; at 20 ℃;

With sodium tetrahydroborate; In methanol; at 20 ℃; for 1.5h;

DOI:10.1080/00397910008087249

upstream raw materials:

dimethyl amine

1-bromomethyl-4-bromobenzene

4-bromo-N,N-dimethylbenzamide

4-bromo-benzaldehyde

Downstream raw materials:

4-(4-dimethylaminomethylphenyl)-4-hydroxycyclohexanone-ethylene ketal

1-([1,1’-biphenyl]-4-yl)-N,N-dimethylmethanamine

4-bromobenzyldimethylamine borane

N,N-dimethyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2- yl)phenyl)methanamine

Refernces

• 1、 Klug, Dana M.,Mavrogiannaki, Eftychia M.,Forbes, Katherine C.,Silva, Lisseth,Diaz-Gonzalez, Rosario,Pérez-Moreno, Guiomar,Ceballos-Pérez, Gloria,Garcia-Hernández, Raquel,Bosch-Navarrete, Cristina,Cordón-Obras, Carlos,Gómez-Li?án, Claudia,Saura, Andreu,Momper, Jeremiah D.,Martinez-Martinez, Maria Santos,Manzano, Pilar,Syed, Ali,El-Sakkary, Nelly,Caffrey, Conor R.,Gamarro, Francisco,Ruiz-Perez, Luis Miguel,Gonzalez Pacanowska, Dolores,Ferrins, Lori,Navarro, Miguel,Pollastri, Michael P.. "Lead Optimization of 3,5-Disubstituted-7-Azaindoles for the Treatment of Human African Trypanosomiasis". supporting information. p. 9404 - 9430. Retrieved 2021/07/25.
• 2、 Aldrich, Courtney C.,Hammerstad, Travis A.,Hegde, Pooja V.,Wang, Kathleen J.. "Chemoselective Reduction of Tertiary Amides by 1,3-Diphenyl disiloxane (DPDS)". . . Retrieved 2022/02/10.