4-(2-methoxyphenyl)butanoic Acid

Base Information

• Chemical Name: 4-(2-methoxyphenyl)butanoic Acid
• CAS No.: 33209-75-5
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• European Community (EC) Number: 835-736-9
• DSSTox Substance ID: DTXSID50399219
• Nikkaji Number: J136.412J
• Wikidata: Q82201624
• Mol file: 33209-75-5.mol

Synonyms:4-(2-methoxyphenyl)butanoic Acid;33209-75-5;4-(2-methoxyphenyl)butyric acid;4-(2-METHOXY-PHENYL)-BUTYRIC ACID;2-Methoxy-benzenebutanoic acid;MFCD00796491;2-Methoxybenzenebutanoic acid;SCHEMBL3264881;4-(2-methoxyphenyl)butanoicAcid;DTXSID50399219;AKOS000301528;AS-60600;CS-0215429;M2926;EN300-246741;T72313

Chemical Property of 4-(2-methoxyphenyl)butanoic Acid

Chemical Property:

• Melting Point: 41 °C
• Boiling Point: 160 °C/3 mmHg
• PSA: 46.53000
• LogP: 2.10250
• Solubility.: soluble in Methanol
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

2-Methoxy-benzenebutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1CCCC(=O)O

Technology Process of 4-(2-methoxyphenyl)butanoic Acid

There total 35 articles about 4-(2-methoxyphenyl)butanoic 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: 28.0%

Ethyl 4-(2-Methoxyphenyl)-butanoate (33209-76-6) → 4-(2-Methoxyphenyl)-butanoic acid (33209-75-5)

Guidance literature:

Ethyl 4-(2-Methoxyphenyl)-butanoate; With sodium hydroxide; In ethanol;

With hydrogenchloride; In water;

DOI:10.1246/cl.130419

Reference yield:

C15H22O3 → 4-(2-Methoxyphenyl)-butanoic acid (33209-75-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1039/d1cc03833h

Reference yield:

4-oxo-4-(2-methoxyphenyl)butyric acid methyl ester (99046-13-6) → 4-(2-Methoxyphenyl)-butanoic acid (33209-75-5)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; diethylene glycol; at 200 ℃; Erwaermen des Reaktionsprodukts mit wss. Natronlauge und Dimethylsulfat;

DOI:10.1021/ja01176a088

upstream raw materials:

sodium diethylmalonate

1-(2-bromoethyl)-2-methoxybenzene

1-(3-chloropropyl)-2-methoxybenzene

4-(2-Methoxyphenyl)-butanenitrile

Downstream raw materials:

4-(2-Methoxy-cyclohexyl)-butanol-⁽¹⁾

Ethyl 4-(2-Methoxyphenyl)-butanoate

4-(2-methoxy-phenyl)-butyryl chloride

5-Methoxy-1-tetralone

Refernces

• 1、 Wu, Fu-Peng,Li, Da,Peng, Jin-Bao,Wu, Xiao-Feng. "Carbonylative Transformation of Allylarenes with CO Surrogates: Tunable Synthesis of 4-Arylbutanoic Acids, 2-Arylbutanoic Acids, and 4-Arylbutanals". supporting information. p. 5699 - 5703. Retrieved 2019/08/01.
• 2、 Mimori, Seisuke,Okuma, Yasunobu,Kaneko, Masayuki,Kawada, Koichi,Nomura, Yasuyuki,Murakami, Yasuoki,Hamana, Hiroshi. "Discovery of synthetic methoxy-substituted 4-phenylbutyric acid derivatives as chemical chaperones". supporting information. p. 1051 - 1052. Retrieved 2013/09/24.