2-Bromo-N,N-dimethylbenzylamine

Base Information

• Chemical Name: 2-Bromo-N,N-dimethylbenzylamine
• CAS No.: 1976-04-1
• Molecular Formula: C9H12BrN
• Molecular Weight: 214.105
• Hs Code.: 2921490090
• European Community (EC) Number: 217-831-1
• NSC Number: 62161,54514
• UNII: 4P3Z3AG3G7
• DSSTox Substance ID: DTXSID00173440
• Nikkaji Number: J199.794G
• Wikidata: Q83043500
• Mol file: 1976-04-1.mol

Synonyms:2-Bromo-N,N-dimethylbenzylamine;1976-04-1;1-(2-bromophenyl)-n,n-dimethylmethanamine;(2-BROMOBENZYL)DIMETHYLAMINE;Benzenemethanamine, 2-bromo-N,N-dimethyl-;2-(N,N-DIMETHYLAMINOMETHYL)-BROMOBENZENE;4P3Z3AG3G7;NSC-54514;NSC-62161;2-Bromo-N,N-dimethylbenzenemethanamine;Benzenemethanamine,2-bromo-N,N-dimethyl-;NSC54514;[(2-bromophenyl)methyl]dimethylamine;2-Bromobenzyldimethylamine;(o-bromobenzyl)dimethylamine;UNII-4P3Z3AG3G7;SCHEMBL3559123;ZPZPSZZVDFMNQS-UHFFFAOYSA-;2-dimethylaminomethyl-bromobenzene;DTXSID00173440;2-Bromo-(N,N-dimethyl)benzylamine;NSC62161;EINECS 217-831-1;MFCD00010352;NSC 54514;NSC 62161;AKOS000320942;AB01037;AM86733;PS-4941;(2-Bromophenyl)-N,N-dimethylmethanamine #;CS-0033805;N10120;J-012768

Chemical Property of 2-Bromo-N,N-dimethylbenzylamine

Chemical Property:

• Vapor Pressure: 0.0986mmHg at 25°C
• Melting Point: 124-126 °C
• Refractive Index: 1.552
• Boiling Point: 223 °C at 760 mmHg
• PKA: 8.32±0.28(Predicted)
• Flash Point: 88.7 °C
• PSA: 3.24000
• Density: 1.32 g/cm³
• LogP: 2.51070
• 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: 114

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-N,N-dimethylbenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CN(C)CC1=CC=CC=C1Br

Technology Process of 2-Bromo-N,N-dimethylbenzylamine

There total 12 articles about 2-Bromo-N,N-dimethylbenzylamine 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: 91.9%

active charcoal + 2-bromobenzylamine hydrochloride (5465-63-4) → 2-bromo-N,N-dimethylbenzylamine (1976-04-1)

Guidance literature:

With formaldehyd; In potassium hydroxide; formic acid; water;

Reference yield: 90.0%

o-bromo-N,N'-dimethylbenzamide (54616-47-6) → 2-bromo-N,N-dimethylbenzylamine (1976-04-1)

Guidance literature:

With dihydrogen hexachloroplatinate(IV) hexahydrate; In tetrahydrofuran; at 60 ℃; for 3h;

DOI:10.1039/c7ra10541j

Reference yield: 89.0%

dimethyl amine (124-40-3) + 1-Bromo-2-bromomethyl-benzene (3433-80-5) → 2-bromo-N,N-dimethylbenzylamine (1976-04-1)

Guidance literature:

In dichloromethane; for 6h; Reflux;

DOI:10.1021/jacs.7b05880

upstream raw materials:

dimethyl amine

1-Bromo-2-bromomethyl-benzene

2-bromobenzylamine hydrochloride

N,N-dimethylammonium chloride

Downstream raw materials:

α-(6,11-dihydrodibenzothiepin-11-yl)-2-(dimethylaminomethyl)benzyl alcohol

2-<5-chloro-2-phenyl>phenyl>oxazoline

2-((N,N-dimethylamino)methyl)thiophenol

2,2'-ditellurobis<<(N,N-dimethylamino)methyl>benzene>