Benzeneacetic acid, 3,5-dimethyl-4-(phenylmethoxy)-

Base Information

• Chemical Name: Benzeneacetic acid, 3,5-dimethyl-4-(phenylmethoxy)-
• CAS No.: 168106-30-7
• Molecular Formula: C17H18O3
• Molecular Weight: 270.328
• DSSTox Substance ID: DTXSID50397851
• Nikkaji Number: J2.090.615D
• Mol file: 168106-30-7.mol

Synonyms:Benzeneacetic acid, 3,5-dimethyl-4-(phenylmethoxy)-;168106-30-7;SCHEMBL6081447;DTXSID50397851;3,5-Dimethyl-4-(benzyloxy)benzeneacetic acid

Chemical Property of Benzeneacetic acid, 3,5-dimethyl-4-(phenylmethoxy)-

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 270.125594432
• Heavy Atom Count: 20
• Complexity: 297

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)CC(=O)O

Technology Process of Benzeneacetic acid, 3,5-dimethyl-4-(phenylmethoxy)-

There total 1 articles about Benzeneacetic acid, 3,5-dimethyl-4-(phenylmethoxy)- 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: 91.0%

2-(4-benzyloxy-3,5-dimethylphenyl)acetonitrile (881002-37-5) → 3,5-dimethyl-4-benzyloxy-phenyl acetic acid (168106-30-7)

Guidance literature:

2-(4-benzyloxy-3,5-dimethylphenyl)acetonitrile; With methanol; sodium hydroxide; water; In tetrahydrofuran; at 80 ℃;

In water; Acidic aqueous solution;

Reference yield: 85.0%

methanol (67-56-1) + 3,5-dimethyl-4-benzyloxy-phenyl acetic acid (168106-30-7) → methyl 4-benzyloxy-3,5-dimethylphenylacetate (787571-86-2)

Guidance literature:

With hydrogen cation;

DOI:10.1016/j.tetlet.2004.08.053

Reference yield: 64.6%

3,5-dimethyl-4-benzyloxy-phenyl acetic acid (168106-30-7) → (4-hydroxy-3,5-dimethylphenyl)-acetic acid (1989-73-7)

Guidance literature:

With tetrabutylammomium bromide; hydrogen bromide; In dichloromethane; for 24h; Heating;

DOI:10.1080/00397919508011755

upstream raw materials:

2-(4-benzyloxy-3,5-dimethylphenyl)acetonitrile

Downstream raw materials:

(4-hydroxy-3,5-dimethylphenyl)-acetic acid

methyl 4-benzyloxy-3,5-dimethylphenylacetate

4-benzyloxy-3,5-dimethylphenethyl bromide

2-(4-benzyloxy-3,5-dimethyl-phenyl)-ethanol