3-(2-Methoxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-(2-Methoxyphenyl)propanoic acid
• CAS No.: 6342-77-4
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• Hs Code.: 29189990
• European Community (EC) Number: 228-738-0
• NSC Number: 46646
• UNII: X9F3ZLH6C7
• DSSTox Substance ID: DTXSID20901606
• Nikkaji Number: J206.947D
• Wikidata: Q72517896
• ChEMBL ID: CHEMBL1901006
• Mol file: 6342-77-4.mol

Synonyms:6342-77-4;3-(2-Methoxyphenyl)propanoic acid;3-(2-Methoxyphenyl)propionic acid;2-Methoxyhydrocinnamic acid;Benzenepropanoic acid, 2-methoxy-;o-Methoxyhydrocinnamic acid;3-(o-Methoxyphenyl)propionic acid;2-Methoxybenzenepropanoic acid;X9F3ZLH6C7;EINECS 228-738-0;MFCD00002772;NSC-46646;2-METHOXY-BENZENEPROPANOIC ACID;NoName_739;Maybridge1_000611;UNII-X9F3ZLH6C7;SCHEMBL362209;Benzenpropionic acid, 2-methoxy;CHEMBL1901006;HMS543D17;XSZSNLOPIWWFHS-UHFFFAOYSA-;AMY4066;DTXSID20901606;CHEBI:194956;NSC46646;3-(2-methoxyphenyl) propionic acid;3-(2-methoxyphenyl)-propionic acid;CCG-45151;NSC 46646;STK501177;3-(2-Methoxyphenyl)propanoic acid #;AKOS000206786;AB00262;BS-3975;CS-W017211;NCGC00188251-01;3-(2-Methoxyphenyl)propionic acid, 98%;SY014884;beta-(o-METHOXYPHENYL)PROPIONIC ACID;FT-0613566;M2673;EN300-17488;AT-051/43422775;J-510527;SR-01000634937-1;Z56943761;3-(2-Methoxyphenyl)propionic acid, purum, >=98.0% (T)

Chemical Property of 3-(2-Methoxyphenyl)propanoic acid

Chemical Property:

• Appearance/Colour: WHITE FINE CRYSTALLINE POWDER
• Vapor Pressure: 0.000369mmHg at 25°C
• Melting Point: 85-87ºC(lit.)
• Refractive Index: 1.5160 (estimate)
• Boiling Point: 305 ºC at 760 mmHg
• PKA: pK1:4.804 (25°C)
• Flash Point: 119.4 ºC
• PSA: 46.53000
• Density: 1.144 g/cmsup>3
• LogP: 1.71240
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

97% ^*data from raw suppliers

3-(2-Methoxyphenyl)propionic acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=CC=C1CCC(=O)O

Technology Process of 3-(2-Methoxyphenyl)propanoic acid

There total 33 articles about 3-(2-Methoxyphenyl)propanoic 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: 100.0%

3-(2'-methoxyphenyl)propenoic acid (6099-03-2) → 2-methoxy-benzenepropanoic acid (6342-77-4)

Guidance literature:

With hydrogen; potassium hydroxide; In water; at 20 ℃; for 3h; under 760.051 Torr; Sealed tube;

DOI:10.1002/aoc.1679

Reference yield: 92.0%

(E)-3-(2-methoxyphenyl)propenal (60125-24-8) → 2-methoxy-benzenepropanoic acid (6342-77-4)

Guidance literature:

(E)-3-(2-methoxyphenyl)propenal; With trimethylsilyl cyanide; tris(2,4,6-trimethoxyphenyl)phosphine; In acetonitrile; at 25 ℃; for 5h;

With hydrogenchloride; In diethyl ether; water; at 20 ℃; for 3h;

DOI:10.1016/S0040-4039(02)01133-4

Reference yield: 72.0%

6-(2-methoxyphenyl)hexane-2,4-dione → 2-methoxy-benzenepropanoic acid (6342-77-4)

Guidance literature:

With ammonium cerium(IV) nitrate; In acetonitrile; at 20 ℃; for 4h;

DOI:10.1021/jo0602975

upstream raw materials:

1-(2-methoxyphenyl)-ethyl chloride

(E)-2-cyano-3-(2-methoxyphenyl)-2-propenoic acid ethyl ester

3-(2-methoxyphenyl)propanenitrile

3-(2'-methoxyphenyl)propenoic acid

Downstream raw materials:

methyl 3-(2-methoxyphenyl)propanoate

3-(2-hydroxyphenyl)propionic acid

3-(2-methoxyphenyl)propan-1-ol

3-(2-methoxyphenyl)propionyl chloride