4-(2-Bromoethoxy)-phenylacetic acid

Base Information

• Chemical Name: 4-(2-Bromoethoxy)-phenylacetic acid
• CAS No.: 59127-37-6
• Molecular Formula: C10H11BrO3
• Molecular Weight: 259.1
• DSSTox Substance ID: DTXSID00444107
• Wikidata: Q82262121
• Mol file: 59127-37-6.mol

Synonyms:4-(2-bromoethoxy)-phenylacetic acid;59127-37-6;SCHEMBL5108700;DTXSID00444107;WNMSWTYGDNNRIM-UHFFFAOYSA-N

Chemical Property of 4-(2-Bromoethoxy)-phenylacetic acid

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 257.98916
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)O)OCCBr

Technology Process of 4-(2-Bromoethoxy)-phenylacetic acid

There total 5 articles about 4-(2-Bromoethoxy)-phenylacetic acid 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: 97.0%

→ [4-(2-bromo-ethoxy)-phenyl]-acetic acid (59127-37-6)

Guidance literature:

Reference yield:

methyl 2-(4-(2-bromoethoxy)phenyl)acetate (100125-95-9) → [4-(2-bromo-ethoxy)-phenyl]-acetic acid (59127-37-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1007/BF02886269

Reference yield:

Methyl 4-hydroxyphenylacetate (14199-15-6) → [4-(2-bromo-ethoxy)-phenyl]-acetic acid (59127-37-6)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetonitrile / 7 h / 80 °C

2: 1N aq. NaOH / methanol / 5 h / Ambient temperature

With sodium hydroxide; potassium carbonate; In methanol; acetonitrile;

DOI:10.1248/cpb.46.53

upstream raw materials:

methyl 2-(4-(2-bromoethoxy)phenyl)acetate

4-hydroxyphenylacetate

ethylene dibromide

Methyl 4-hydroxyphenylacetate

Downstream raw materials:

4-(2-bromoethoxy)phenylacetyl chloride

[4-(2-dimethylamino-ethoxy)-phenyl]-acetic acid ethyl ester

[4-(2-dimethylamino-ethoxy)-phenyl]-acetic acid-(2-dimethylamino-ethyl ester)