2-Bromo-3-methoxy-1-phenylpropan-1-one

Base Information

• Chemical Name: 2-Bromo-3-methoxy-1-phenylpropan-1-one
• CAS No.: 21726-71-6
• Molecular Formula: C10H11 Br O2
• Molecular Weight: 243.1
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID50517693
• Mol file: 21726-71-6.mol

Synonyms:2-Bromo-3-methoxy-1-phenylpropan-1-one;1-Propanone,2-bromo-1-(3-methoxyphenyl)-;SCHEMBL10799128;DTXSID50517693

Chemical Property of 2-Bromo-3-methoxy-1-phenylpropan-1-one

Chemical Property:

• Boiling Point: 287.2±15.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.388±0.06 g/cm3(Predicted)
• LogP: 2.66130
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 241.99424
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-1-(3-methoxyphenyl)-propan-1-one 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC(C(=O)C1=CC=CC=C1)Br

Technology Process of 2-Bromo-3-methoxy-1-phenylpropan-1-one

There total 3 articles about 2-Bromo-3-methoxy-1-phenylpropan-1-one 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: 93.0%

→ 2-bromo-1-(3-methoxyphenyl)propan-1-one (21726-71-6)

Guidance literature:

Reference yield: 83.0%

1-(3-methoxyphenyl)propan-1-one (37951-49-8) → 2-bromo-1-(3-methoxyphenyl)propan-1-one (21726-71-6)

Guidance literature:

With bromine; In diethyl ether; at 20 ℃; for 1h;

DOI:10.1021/jacs.1c07726

Reference yield:

3-Methoxybenzoic acid (586-38-9) → 2-bromo-1-(3-methoxyphenyl)propan-1-one (21726-71-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 18 h / 20 °C

2.1: tetrahydrofuran / 3.5 h / 0 - 20 °C / Inert atmosphere

2.2: Inert atmosphere

3.1: acetic acid; bromine / 1.5 h / 20 °C

With bromine; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2012.08.121

upstream raw materials:

1-(3-methoxyphenyl)propan-1-one

3-Methoxybenzoic acid

Downstream raw materials:

6-methoxy-2-(3-methoxyphenyl)-3-methylindole

5-methoxy-2-(3-methoxyphenyl)-3-methylindole

2-(3-Hydroxy-phenyl)-1,3-dimethyl-1H-indol-6-ol

2-(3-Hydroxy-phenyl)-1,3-dimethyl-1H-indol-5-ol