2-(2-Methylphenoxy)propanoic acid

Base Information

• Chemical Name: 2-(2-Methylphenoxy)propanoic acid
• CAS No.: 7345-21-3
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• Hs Code.: 2918990090
• European Community (EC) Number: 852-337-5
• DSSTox Substance ID: DTXSID80901607
• Nikkaji Number: J632.849K
• Mol file: 7345-21-3.mol

Synonyms:2-(2-methylphenoxy)propanoic acid;7345-21-3;2-(o-Tolyloxy)propanoic acid;2-(o-Tolyloxy)propionic acid;Propanoic acid, 2-(2-methylphenoxy)-;Propionic acid, 2-(o-tolyloxy)-;Acide (o-methylphenoxy)-2 propionique [French];AI3-26429;Acide (o-methylphenoxy)-2 propionique;NoName_740;2-(o-Tolyloxy)propanoicacid;SCHEMBL830741;DTXSID80901607;2-(2-methylphenoxy) propionic acid;BBL002031;MFCD01122029;STK202608;AKOS000126309;AKOS016341340;FS-5806;2-(2-METHYLPHENOXY)PROPANOICACID;(2RS)-2-(2-methylphenoxy)propionic acid;LS-124881;BB 0221120;CS-0187788;E76815;AN-329/11664112

Chemical Property of 2-(2-Methylphenoxy)propanoic acid

Chemical Property:

• Vapor Pressure: 0.000718mmHg at 25°C
• Boiling Point: 294.8°C at 760 mmHg
• Flash Point: 114.4°C
• PSA: 46.53000
• Density: 1.142g/cm³
• LogP: 1.84690
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

98%Min ^*data from raw suppliers

2-(2-Methylphenoxy)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1OC(C)C(=O)O

Technology Process of 2-(2-Methylphenoxy)propanoic acid

There total 11 articles about 2-(2-Methylphenoxy)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:

L-2-chloropropionic acid sodium salt (16987-02-3) + ortho-cresol (95-48-7,77504-84-8) → 2-(o-tolyloxy)propanoic acid (7345-21-3)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In water; toluene;

Reference yield:

ortho-cresol (95-48-7,77504-84-8) + (R,S)-2-chloropropionic acid (598-78-7) → 2-(o-tolyloxy)propanoic acid (7345-21-3)

Guidance literature:

With sodium hydroxide; In water; for 20h; Heating;

DOI:10.1021/jo0706224

Reference yield:

potassium o-cresolate (3235-09-4) → 2-(o-tolyloxy)propanoic acid (7345-21-3)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile / Heating

2: water

With water; In acetonitrile;

upstream raw materials:

Ethyl 2-bromopropionate

sodium o-cresolate

2-o-tolyloxy-propionaldehyde

ethyl 2-(2-methylphenyl)oxypropionate

Downstream raw materials:

(R)-2-(o-tolyloxy)propanoic acid

di(1-naphthyl)methyl (S)-2-(o-tolyloxy)propanoate

Refernces

• 1、 Segurado, Manuel A. P.,Reis, Joao Carlos R.,De Oliveira, Jaime D. Gomes,Kabilan, Senthamaraikannan,Shanthi, Manohar. "Chlorination of 2-phenoxypropanoic acid with NCP in aqueous acetic acid: Using a novel ortho-para relationship and the para/meta ratio of substituent effects for mechanism elucidation". . p. 5327 - 5336. Retrieved 2008/02/07.
• 2、 Azzolina,Ghislandi. "Antiphlogistic aryloxypropionic acids: Configurational study". . p. 713 - 724. Retrieved 2007/10/02.