4-Bromo-N-methyl-N-(3-methylbutyl)aniline

Base Information

Chemical Name:4-Bromo-N-methyl-N-(3-methylbutyl)aniline
CAS No.:91935-10-3
Molecular Formula:C12H18BrN
Molecular Weight:256.186
Hs Code.:
DSSTox Substance ID:DTXSID10600358
Wikidata:Q82496391

Synonyms:4-Bromo-N-methyl-N-(3-methylbutyl)aniline;91935-10-3;SCHEMBL9773235;DTXSID10600358;VLTUESNJRNHSDF-UHFFFAOYSA-N;N-methyl-N-(3-methylbutyl)-4-bromo-aniline

Suppliers and Price of 4-Bromo-N-methyl-N-(3-methylbutyl)aniline

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-Bromo-N-methyl-N-(3-methylbutyl)aniline

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:255.06226
Heavy Atom Count:14
Complexity:150

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCN(C)C1=CC=C(C=C1)Br

Technology Process of 4-Bromo-N-methyl-N-(3-methylbutyl)aniline

There total 6 articles about 4-Bromo-N-methyl-N-(3-methylbutyl)aniline 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: 53.0%

: N-isopentyl-N-methylaniline N-oxide

: 91935-10-3
4-bromo-N-isopentyl-N-methylaniline

Guidance literature:: N-isopentyl-N-methylaniline N-oxide; With sulfurous dibromide; In tetrahydrofuran; at -78 ℃; for 4h; Inert atmosphere;

With triethylamine; In tetrahydrofuran; at -78 - 23 ℃; for 0.75h; regioselective reaction; Inert atmosphere;
DOI:10.1021/acs.joc.8b01590

Reference yield:

: 91935-09-0
N-isopentyl-N-methylaniline

: 91935-10-3
4-bromo-N-isopentyl-N-methylaniline

Guidance literature:: With bromine; acetic acid;

Reference yield:

: 590-86-3
isovaleraldehyde

: 91935-10-3
4-bromo-N-isopentyl-N-methylaniline

Guidance literature:: Multi-step reaction with 3 steps

1.1: acetic acid; sodium cyanoborohydride / tetrahydrofuran / 18 h / 23 - 50 °C / Inert atmosphere

2.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 1 h / 23 °C / Inert atmosphere

3.1: sulfurous dibromide / tetrahydrofuran / 4 h / -78 °C / Inert atmosphere

3.2: 0.75 h / -78 - 23 °C / Inert atmosphere

With sulfurous dibromide; sodium cyanoborohydride; acetic acid; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; dichloromethane;
DOI:10.1021/acs.joc.8b01590