4-(Benzyloxy)-3-methoxyphenacyl bromide

Base Information

• Chemical Name: 4-(Benzyloxy)-3-methoxyphenacyl bromide
• CAS No.: 1835-12-7
• Molecular Formula: C16H15BrO3
• Molecular Weight: 335.197
• DSSTox Substance ID: DTXSID00508218
• Wikidata: Q82364959
• Mol file: 1835-12-7.mol

Synonyms:1835-12-7;4-(BENZYLOXY)-3-METHOXYPHENACYL BROMIDE;Ethanone, 2-bromo-1-[3-methoxy-4-(phenylmethoxy)phenyl]-;2-bromo-1-(3-methoxy-4-phenylmethoxyphenyl)ethanone;SCHEMBL1119481;DTXSID00508218;AKOS027447491;FT-0662953;4'-(benzyloxy)-2-bromo-3'-methoxyacetophenone;1-[4-(Benzyloxy)-3-methoxyphenyl]-2-bromoethan-1-one

Chemical Property of 4-(Benzyloxy)-3-methoxyphenacyl bromide

Chemical Property:

• Melting Point: 100-104oC
• PSA: 35.53000
• LogP: 3.85180
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 334.02046
• Heavy Atom Count: 20
• Complexity: 302

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Benzyloxy)-3-methoxyphenacylBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(=O)CBr)OCC2=CC=CC=C2

Technology Process of 4-(Benzyloxy)-3-methoxyphenacyl bromide

There total 11 articles about 4-(Benzyloxy)-3-methoxyphenacyl bromide 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: 89.0%

4-benzyloxy-3-methoxyacetophenone (1835-11-6) → 3-methoxy-4-benzyloxy-α-bromoacetophenone (1835-12-7)

Guidance literature:

With bromine; In ethanol; dichloromethane; cyclohexane; at 20 ℃; Inert atmosphere;

DOI:10.1039/c8gc01366g

Reference yield: 38.0%

4-benzyloxy-3-methoxyacetophenone (1835-11-6) → 2,2-dibromo-1-(4-(benzyloxy)-3-methoxyphenyl)ethanone + 3-methoxy-4-benzyloxy-α-bromoacetophenone (1835-12-7)

Guidance literature:

With bromine; In chloroform;

DOI:10.1016/j.tetasy.2006.04.030

Reference yield:

1-(3-methoxy-4-hydroxyphenyl)ethanone (498-02-2) → 3-methoxy-4-benzyloxy-α-bromoacetophenone (1835-12-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / K₂CO₃ / dimethylformamide / 1 h / 100 °C

2: 38 percent / Br₂ / CHCl₃

With bromine; potassium carbonate; In chloroform; N,N-dimethyl-formamide;

DOI:10.1016/j.tetasy.2006.04.030

upstream raw materials:

4-benzyloxy-3-methoxyacetophenone

benzyl chloride

1-(3-methoxy-4-hydroxyphenyl)ethanone

benzyl bromide

Downstream raw materials:

1-(4-benzyloxy-3-methoxy-phenyl)-2-(2-methoxy-4-propyl-phenoxy)-ethanone

4-(4-benzyloxy-3-methoxy-phenacyloxy)-3-methoxy-benzaldehyde

1-(4-(benzyloxy)-3-methoxyphenyl)-2-(2-methoxyphenoxy)ethan-1-one

α-(4-hydroxymethyl-2-methoxyphenoxy)-4-benzyloxy-3-methoxyacetophenone