3-Bromo-4,5-dimethoxybenzylamine

Base Information

• Chemical Name: 3-Bromo-4,5-dimethoxybenzylamine
• CAS No.: 887583-02-0
• Molecular Formula: C9H12 Br N O2
• Molecular Weight: 246.104
• DSSTox Substance ID: DTXSID40427979
• Wikidata: Q82240741
• ChEMBL ID: CHEMBL4521535
• Mol file: 887583-02-0.mol

Synonyms:887583-02-0;3-BROMO-4,5-DIMETHOXYBENZYLAMINE;(3-bromo-4,5-dimethoxyphenyl)methanamine;Benzenemethanamine,3-bromo-4,5-dimethoxy-;CHEMBL4521535;SCHEMBL10050295;DTXSID40427979;AKOS002672002;EN300-145523

Chemical Property of 3-Bromo-4,5-dimethoxybenzylamine

Chemical Property:

• PSA: 44.48000
• LogP: 2.62530
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.00514
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

99%min ^*data from raw suppliers

3-Bromo-4,5-dimethoxybenzylamine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC(=C1)CN)Br)OC

Technology Process of 3-Bromo-4,5-dimethoxybenzylamine

There total 3 articles about 3-Bromo-4,5-dimethoxybenzylamine 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: 55.0%

5-bromo-3.4-dimethoxy-benzaldehyde anti-oxime → 3,4-dimethoxy-5-bromobenzyl amine (887583-02-0)

Guidance literature:

5-bromo-3.4-dimethoxy-benzaldehyde anti-oxime; With acetic acid; zinc; Heating / reflux;

With sodium hydroxide; In water;

Reference yield:

3,4-dimethoxy-benzaldehyde (120-14-9) → 3,4-dimethoxy-5-bromobenzyl amine (887583-02-0)

Guidance literature:

Multi-step reaction with 3 steps

1: glacial acetic acid; bromine / 16 h / 0 - 20 °C

2: sodium hydroxide; hydroxyamino hydrochloride / lithium hydroxide monohydrate; methanol / 2 h / 70 °C

3: glacial acetic acid; zinc powder / lithium hydroxide monohydrate; methanol / 2 h / 70 °C

With hydroxyamino hydrochloride; bromine; glacial acetic acid; sodium hydroxide; zinc powder; In methanol; lithium hydroxide monohydrate;

Reference yield:

5-bromoveratralaldehyde (6948-30-7) → 3,4-dimethoxy-5-bromobenzyl amine (887583-02-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide; hydroxyamino hydrochloride / lithium hydroxide monohydrate; methanol / 2 h / 70 °C

2: glacial acetic acid; zinc powder / lithium hydroxide monohydrate; methanol / 2 h / 70 °C

With hydroxyamino hydrochloride; glacial acetic acid; sodium hydroxide; zinc powder; In methanol; lithium hydroxide monohydrate;

upstream raw materials:

3,4-dimethoxy-benzaldehyde

5-bromoveratralaldehyde

Refernces

• 1、 -. "NOVEL PROTEIN KINASE MODULATORS AND THERAPEUTIC USES THEREOF". Page/Page column 40; 41; 3/22. . Retrieved 2008/12/06.