1-(5-Bromo-2-methoxyphenyl)-n,n-dimethylmethanamine

Base Information

• Chemical Name: 1-(5-Bromo-2-methoxyphenyl)-n,n-dimethylmethanamine
• CAS No.: 7078-90-2
• Molecular Formula: C10H14BrNO
• Molecular Weight: 244.131
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID30358223
• Wikidata: Q82138644
• Mol file: 7078-90-2.mol

Synonyms:7078-90-2;1-(5-bromo-2-methoxyphenyl)-n,n-dimethylmethanamine;(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine;(5-BROMO-2-METHOXYbenzyl)dimethylamine;5-bromo-2-methoxy-N,N-dimethylBenzenemethanamine;Cambridge id 6423272;SCHEMBL3696560;DTXSID30358223;LYFFUJLINWPKAX-UHFFFAOYSA-N;MFCD02640922;AKOS009027783;4-bromo-2-(dimethylaminomethyl)anisole;AB87962;AC-17977;CS-0194849;FT-0756218;E89639;EN300-1910565;A866542;J-501546;[(5-BROMO-2-METHOXYPHENYL)METHYL]DIMETHYLAMINE

Chemical Property of 1-(5-Bromo-2-methoxyphenyl)-n,n-dimethylmethanamine

Chemical Property:

• Vapor Pressure: 0.0105mmHg at 25°C
• Refractive Index: 1.541
• Boiling Point: 263.2°C at 760 mmHg
• Flash Point: 113°C
• PSA: 12.47000
• Density: 1.311g/cm³
• LogP: 2.51930
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 243.02588
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98% ^*data from raw suppliers

(5-Bromo-2-methoxy-benzyl)-dimethylamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=C(C=CC(=C1)Br)OC

Technology Process of 1-(5-Bromo-2-methoxyphenyl)-n,n-dimethylmethanamine

There total 5 articles about 1-(5-Bromo-2-methoxyphenyl)-n,n-dimethylmethanamine 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: 28.0%

1-bromo-4-methoxy-benzene (104-92-7) + eschenmoser's salt (33797-51-2) → (5-bromo-2-methoxybenzyl)dimethylamine (7078-90-2)

Guidance literature:

1-bromo-4-methoxy-benzene; With tert-butyl methyl ether; ortho-lithio-N,N-dimethylaniline; In cyclohexane; at 55 - 60 ℃; for 24h; Inert atmosphere;

eschenmoser's salt; In cyclohexane;

DOI:10.1016/j.tetlet.2009.01.104

Reference yield:

5-bromo-2-methoxy-benzyl alcohol (80866-82-6) → (5-bromo-2-methoxybenzyl)dimethylamine (7078-90-2)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / CH₂Cl₂ / 2 h / 20 °C

2: 4.0 g / tetrahydrofuran / 18 h / 20 °C

With thionyl chloride; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm049424k

Reference yield:

5-bromo-2-methoxybenzaldehyde (25016-01-7) → (5-bromo-2-methoxybenzyl)dimethylamine (7078-90-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 64 percent / NaBH₄ / aq. ethanol

2: SOCl₂ / CH₂Cl₂ / 2 h / 20 °C

3: 4.0 g / tetrahydrofuran / 18 h / 20 °C

With sodium tetrahydroborate; thionyl chloride; In tetrahydrofuran; ethanol; dichloromethane;

DOI:10.1021/jm049424k

upstream raw materials:

4-bromo-2-(chloromethyl)-1-methoxybenzene

dimethyl amine

5-bromo-2-methoxy-benzyl alcohol

5-bromo-2-methoxybenzaldehyde

Downstream raw materials:

1-(3-dimethylaminomethyl-4-methoxyphenyl)ethanone

3-dimethylaminomethyl-4-methoxy-benzaldehyde

Refernces

• 1、 Nielsen, Simon F.,Larsen, Mogens,Boesen, Thomas,Sch?nning, Kristian,Kromann, Hasse. "Cationic chalcone antibiotics. Design, synthesis, and mechanism of action". . p. 2667 - 2677. Retrieved 2007/10/03.