3-bromo-N-[(4-methoxyphenyl)methyl]propanamide

Base Information

• Chemical Name: 3-bromo-N-[(4-methoxyphenyl)methyl]propanamide
• CAS No.: 70875-41-1
• Molecular Formula: C₁₁H₁₄BrNO₂
• Molecular Weight: 272.142
• DSSTox Substance ID: DTXSID00499758
• Wikidata: Q82350822
• Mol file: 70875-41-1.mol

Synonyms:3-bromo-N-[(4-methoxyphenyl)methyl]propanamide;70875-41-1;SCHEMBL1484465;DTXSID00499758;A837014

Chemical Property of 3-bromo-N-[(4-methoxyphenyl)methyl]propanamide

Chemical Property:

• Melting Point: 127-128 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 437.7±35.0 °C(Predicted)
• Density: 1.371±0.06 g/cm3(Predicted)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 271.02079
• Heavy Atom Count: 15
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CNC(=O)CCBr

Technology Process of 3-bromo-N-[(4-methoxyphenyl)methyl]propanamide

There total 2 articles about 3-bromo-N-[(4-methoxyphenyl)methyl]propanamide 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: 81.0%

4-methoxy-benzylamine (2393-23-9) + 3-Bromopropionyl chloride (15486-96-1) → 3-bromo-N-(4-methoxy-benzyl)-propionamide (70875-41-1)

Guidance literature:

With N,N-dimethyl-aniline; In dichloromethane; for 2h; Ambient temperature;

Reference yield:

3-Bromopropionic acid (590-92-1) + 4-methoxy-benzylamine (2393-23-9) → 3-bromo-N-(4-methoxy-benzyl)-propionamide (70875-41-1)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at -5 - 20 ℃;

DOI:10.3390/molecules16119178

Reference yield: 85.0%

3-bromo-N-(4-methoxy-benzyl)-propionamide (70875-41-1) → 1-(4'-methoxyphenylmethyl)azetidin-2-one (70875-47-7)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; In dichloromethane; acetonitrile; for 6.5h; Ambient temperature;

upstream raw materials:

4-methoxy-benzylamine

3-Bromopropionyl chloride

3-Bromopropionic acid

Downstream raw materials:

1-(4'-methoxyphenylmethyl)azetidin-2-one

C₂₇H₂₈N₄O₅

N-hydroxy-4-{[(4-methoxybenzylcarbamoylethyl)amino]methyl}benzamide