(3-Bromo-2-methylphenyl)methanamine

Base Information

• Chemical Name: (3-Bromo-2-methylphenyl)methanamine
• CAS No.: 943722-02-9
• Molecular Formula: C8H10BrN
• Molecular Weight: 200.078
• European Community (EC) Number: 861-400-6
• Mol file: 943722-02-9.mol

Synonyms:(3-BROMO-2-METHYLPHENYL)METHANAMINE;943722-02-9;3-Bromo-2-methylbenzenemethanamine;3-Bromo-2-methylbenzylamine;3-bromo-2-methyl-benzylamine;SCHEMBL608459;BOMWYUIURJVHSH-UHFFFAOYSA-N;MFCD18392010;3-BROMO-2-METHYLBENZYL AMINE;AKOS014880717;[(3-Bromo-2-methylphenyl)methyl]amine;1-(3-bromo-2-methylphenyl)methanamine;BS-17943;CS-0141920;FT-0717385;EN300-192236

Chemical Property of (3-Bromo-2-methylphenyl)methanamine

Chemical Property:

• PSA: 26.02000
• LogP: 2.91650
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 198.99966
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

≥95% ^*data from raw suppliers

(3-Bromo-2-methylphenyl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (3-Bromo-2-methylphenyl)methanamine

There total 1 articles about (3-Bromo-2-methylphenyl)methanamine 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: 35.0%

3-bromo-2-methylbenzamide (919363-09-0) → [(3-Bromo-2-methylphenyl)methyl]amine (943722-02-9)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 20 - 50 ℃;

Reference yield: 93.0%

[(3-Bromo-2-methylphenyl)methyl]amine (943722-02-9) + trans-{4-[(2-chloro-5-nitro-pyrimidin-4-ylamino)-methyl]-cyclohexyl}-methanol → (trans-4-{[2-(3-bromo-2-methyl-benzylamino)-5-nitro-pyrimidin-4-ylamino]-methyl}-cyclohexyl)-methanol

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 18h;

Reference yield: 46.0%

[(3-Bromo-2-methylphenyl)methyl]amine (943722-02-9) + tert-butyl 4-(((2-chloro-5-nitropyrimidin-4-yl)amino)methyl)piperidine-1-carboxylate (943722-21-2) → 4-{[2-(3-bromo-2-methyl-benzylamino)-5-nitro-pyrimidin-4-ylamino]-methyl}-piperidine-1-carboxylic acid tert-butyl ester (1236107-83-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;

upstream raw materials:

3-bromo-2-methylbenzamide

Downstream raw materials:

4-{[2-(3-bromo-2-methyl-benzylamino)-5-nitro-pyrimidin-4-ylamino]-methyl}-piperidine-1-carboxylic acid tert-butyl ester

tert-butyl N-[(3-bromo-2-methylphenyl)methyl]carbamate

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