N-(3-bromobenzyl)-N-(tert-butyl)amine

Base Information

• Chemical Name: N-(3-bromobenzyl)-N-(tert-butyl)amine
• CAS No.: 133042-85-0
• Molecular Formula: C11H16BrN
• Molecular Weight: 242.159
• DSSTox Substance ID: DTXSID30359396
• Nikkaji Number: J2.524.413C
• Wikidata: Q82140592
• Mol file: 133042-85-0.mol

Synonyms:N-(3-bromobenzyl)-N-(tert-butyl)amine;133042-85-0;n-(3-bromobenzyl)-2-methylpropan-2-amine;N-[(3-bromophenyl)methyl]-2-methylpropan-2-amine;N-(3-Bromophenylmethyl)tert-butylamine;N-[(3-bromophenyl)methyl]-2-methyl-propan-2-amine;SCHEMBL3360295;DTXSID30359396;MFCD04526045;AKOS000130686;CS-0194546;C77856

Chemical Property of N-(3-bromobenzyl)-N-(tert-butyl)amine

Chemical Property:

• PSA: 12.03000
• LogP: 3.72810
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 241.04661
• Heavy Atom Count: 13
• Complexity: 151

Purity/Quality:

95%-98% ^*data from raw suppliers

N-(3-bromobenzyl)-N-(tert-butyl)amine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NCC1=CC(=CC=C1)Br

Technology Process of N-(3-bromobenzyl)-N-(tert-butyl)amine

There total 2 articles about N-(3-bromobenzyl)-N-(tert-butyl)amine 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: 83.0%

m-bromobenzoic aldehyde (3132-99-8) + tert-butylamine (75-64-9) → N-(3-bromobenzyl)-2-methylpropan-2-amine (133042-85-0)

Guidance literature:

With acetic acid; In methanol; at 20 ℃; for 48h;

Reference yield: 67.0%

N-(3-bromobenzylidene)-2-methylpropan-2-amine (28405-57-4) → N-(3-bromobenzyl)-2-methylpropan-2-amine (133042-85-0)

Guidance literature:

With bis(pentamethylcyclopentadienyl)zinc; hydrogen; 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene; In benzene-d6; at 50 ℃; for 72h; under 75007.5 Torr; Reagent/catalyst; Temperature; Time; Pressure; Inert atmosphere;

DOI:10.1002/anie.201303968

Reference yield: 60.0%

bis(trichloromethyl) carbonate (32315-10-9) + potassium ethyl xanthogenate (140-89-6) + N-(3-bromobenzyl)-2-methylpropan-2-amine (133042-85-0) → C15H20NO2S2Br

Guidance literature:

bis(trichloromethyl) carbonate; N-(3-bromobenzyl)-2-methylpropan-2-amine; With triethylamine; In dichloromethane; at 0 - 20 ℃;

potassium ethyl xanthogenate; In acetonitrile; at 20 ℃; for 0.25h;

DOI:10.1016/j.tet.2011.01.003

upstream raw materials:

N-(3-bromobenzylidene)-2-methylpropan-2-amine

m-bromobenzoic aldehyde

tert-butylamine

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