3-(3-Methoxyphenoxy)propionic Acid

Base Information

• Chemical Name: 3-(3-Methoxyphenoxy)propionic Acid
• CAS No.: 49855-03-0
• Molecular Formula: C10H12O4
• Molecular Weight: 196.203
• Hs Code.: 2918990090
• European Community (EC) Number: 662-712-3
• DSSTox Substance ID: DTXSID60409550
• Wikidata: Q82215402
• Mol file: 49855-03-0.mol

Synonyms:3-(3-Methoxyphenoxy)propionic Acid;49855-03-0;3-(3-methoxyphenoxy)propanoic Acid;MFCD00045943;Propanoic acid, 3-(3-methoxyphenoxy)-;3-(3-Methoxyphenoxy)propionicAcid;SCHEMBL5067089;AMY4726;DTXSID60409550;3-(3-methoxyphenoxy)propanoicacid;ZBA85503;AKOS000131942;AS-31597;SY008351;CS-0150456;FT-0639890;M1692;EN300-223584;A871705;SR-01000395293;SR-01000395293-1;Z57772229

Chemical Property of 3-(3-Methoxyphenoxy)propionic Acid

Chemical Property:

• Vapor Pressure: 0.000138mmHg at 25°C
• Melting Point: 83oC
• Boiling Point: 319.8oC at 760 mmHg
• PKA: 4.21±0.10(Predicted)
• Flash Point: 124.7oC
• PSA: 55.76000
• Density: 1.188g/cm3
• LogP: 1.54870
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(3-METHOXYPHENOXY)PROPIONIC ACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC=C1)OCCC(=O)O

Technology Process of 3-(3-Methoxyphenoxy)propionic Acid

There total 14 articles about 3-(3-Methoxyphenoxy)propionic 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: 96.0%

β-(m-methoxyphenoxy)propionitrile (6279-84-1) → 3-(3-methoxyphenoxy)propionic acid (49855-03-0)

Guidance literature:

With hydrogenchloride; Heating; 1.5 - 3.5 h;

DOI:10.1016/S0040-4020(01)89116-X

Reference yield: 31.0%

3-Bromopropionic acid (590-92-1) + O-methylresorcine (150-19-6) → 3-(3-methoxyphenoxy)propionic acid (49855-03-0)

Guidance literature:

With sodium hydroxide; sodium hydrogencarbonate; In water; at 100 ℃; for 3h;

DOI:10.1016/j.bmcl.2007.04.068

Reference yield: 23.0%

O-methylresorcine (150-19-6) → 3-(3-methoxyphenoxy)propionic acid (49855-03-0)

Guidance literature:

With sodium hydrogencarbonate; In water; for 0.0833333h;

O-methylresorcine; With sodium hydroxide; In water; at 100 ℃; for 3h;

With hydrogenchloride; In water; at 20 ℃;

upstream raw materials:

chloropropionic acid

O-methylresorcine

3-iodopropanoic acid

β-Propiolactone

Downstream raw materials:

methyl 3-(m-methoxyphenoxy)propionate

C₁₀H₁₁ClO₃

(3E)-2,3-dihydro-7-methoxy-3-(phenylmethylene)-4H-1-benzopyran-4-one

3-benzyl-7-methoxy-4-chromanone

Refernces

• 1、 Liu, Yajun,Park, Se Kyung,Xiao, Yan,Chae, Junghyun. "Copper(ii)-catalyzed C-O coupling of aryl bromides with aliphatic diols: Synthesis of ethers, phenols, and benzo-fused cyclic ethers". . p. 4747 - 4753. Retrieved 2014/06/24.
• 2、 -. "(1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE". Page/Page column 59; 60. . Retrieved 2009/05/30.