alpha-(4-Methoxyphenyl)benzenepropanoic acid

Base Information

• Chemical Name: alpha-(4-Methoxyphenyl)benzenepropanoic acid
• CAS No.: 1769-85-3
• Molecular Formula: C₁₆H₁₆O₃
• Molecular Weight: 256.301
• DSSTox Substance ID: DTXSID501275126
• Mol file: 1769-85-3.mol

Synonyms:1769-85-3;SCHEMBL6643092;DTXSID501275126;alpha-(4-Methoxyphenyl)benzenepropanoic acid

Chemical Property of alpha-(4-Methoxyphenyl)benzenepropanoic acid

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 256.109944368
• Heavy Atom Count: 19
• Complexity: 276

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(CC2=CC=CC=C2)C(=O)O

Technology Process of alpha-(4-Methoxyphenyl)benzenepropanoic acid

There total 12 articles about alpha-(4-Methoxyphenyl)benzenepropanoic 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: 93.7%

2-(4-methoxyphenyl)-3-phenylpropanenitrile (5840-58-4) → (±)-2-(4-methoxyphenyl)-3-phenylpropanoic acid (1769-85-3)

Guidance literature:

With potassium hydroxide; In water; ethylene glycol; Heating;

DOI:10.1021/jm950833d

Reference yield:

(E)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)prop-2-enoic acid (30292-50-3) → (±)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)propanoic acid (1017216-83-9) + (±)-2-(4-methoxyphenyl)-3-phenylpropanoic acid (1769-85-3)

Guidance literature:

With palladium/alumina; hydrogen; In water; N,N-dimethyl-formamide; at 21.84 ℃; for 1h; under 750.075 Torr;

DOI:10.1016/j.molcata.2010.09.013

Reference yield:

(E)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)prop-2-enoic acid (30292-50-3) → (±)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)propanoic acid (1017216-83-9) + (±)-2-(4-methoxyphenyl)-3-phenylpropanoic acid (1769-85-3) + (E)-2-(4-methoxyphenyl)-3-phenylacrylic acid (1694-22-0,6387-65-1,20432-25-1)

Guidance literature:

With palladium/alumina; hydrogen; cinchonidine; In water; N,N-dimethyl-formamide; at 21.84 ℃; for 1h; under 750.075 Torr; enantioselective reaction;

DOI:10.1016/j.molcata.2010.09.013

upstream raw materials:

(E)-2-(4-methoxyphenyl)-3-phenylacrylic acid

4-Methoxyphenylacetic acid

benzyl chloride

2-(4-methoxyphenyl)-3-phenylpropanenitrile

Downstream raw materials:

2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-one

3-Phenyl-2-<4-methoxy-phenyl>-propionsaeure-chlorid

2-<4-Methoxy-phenyl>-3-<4-(2-diaethylamino-aethoxy)-phenyl>-inden

2-(4-methoxyphenyl)-1-indanone oxime methyl ether