2-(3-Methoxyphenyl)-2-methylpropanoic acid

Base Information

• Chemical Name: 2-(3-Methoxyphenyl)-2-methylpropanoic acid
• CAS No.: 17653-94-0
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• European Community (EC) Number: 866-833-4
• DSSTox Substance ID: DTXSID30445344
• Nikkaji Number: J1.051.164J
• Wikidata: Q82263716
• Mol file: 17653-94-0.mol

Synonyms:2-(3-Methoxyphenyl)-2-methylpropanoic acid;17653-94-0;2-(3-Methoxy-phenyl)-2-methyl-propionic acid;2-(3-Methoxyphenyl)-2-methylpropionic acid;SCHEMBL1356271;DTXSID30445344;AJBGTOYTKPVUPX-UHFFFAOYSA-N;MFCD09414710;AKOS010514988;PS-5140;AM807366;2-(3-Methoxyphenyl)-2-methylpropanoicacid;BB 0257711;CS-0448486;FT-0681643;A23374;EN300-211026;alpha,alpha-Dimethyl-3-methoxybenzeneacetic acid;J-505801;Z801751988

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

Chemical Property:

• Boiling Point: 312.988 °C at 760 mmHg
• Flash Point: 118.958 °C
• PSA: 46.53000
• Density: 1.111 g/cm³
• LogP: 2.05740
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC(=CC=C1)OC)C(=O)O

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

There total 9 articles about 2-(3-Methoxyphenyl)-2-methylpropanoic 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%

2-(3'-Methoxyphenyl)-2-methylpropionitrile (17653-93-9) → α-methyl-α-(3-methoxyphenyl)proprionic acid (17653-94-0)

Guidance literature:

With water; sodium hydroxide; In methanol; at 80 ℃; for 12h;

DOI:10.1021/acs.orglett.1c02460

Reference yield: 82.0%

ethyl 2-(3-methoxyphenyl)-2-methyl-propanoate (728912-67-2) → α-methyl-α-(3-methoxyphenyl)proprionic acid (17653-94-0)

Guidance literature:

With sodium hydroxide; water; In ethanol; at 70 ℃; for 16h;

Reference yield:

methyl 2-(3-methoxyphenyl)-2-methylpropanoate (32454-33-4) → α-methyl-α-(3-methoxyphenyl)proprionic acid (17653-94-0)

Guidance literature:

methyl 2-(3-methoxyphenyl)-2-methylpropanoate; With methanol; lithium hydroxide; water; In tetrahydrofuran; at 60 ℃; for 7h;

In water; Acidic aqueous solution;

upstream raw materials:

2-(3'-Methoxyphenyl)-2-methylpropionitrile

methyl (3-methoxyphenyl)acetate

methyl iodide

sodium 3-methoxyphenylacetate

Downstream raw materials:

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

C₁₅H₂₃NO₃

2-(3-hydroxyphenyl)-1-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylpropan-1-one

2-(3-methoxyphenyl)-1-[5-(3-methoxyphenyl)thiophen-2-yl]-2-methylpropan-1-one

Refernces

• 1、 Srinivas, Dasari,Satyanarayana, Gedu. "Palladium-Catalyzed Distal m-C-H Functionalization of Arylacetic Acid Derivatives". supporting information. p. 7353 - 7358. Retrieved 2021/10/01.
• 2、 Cheng, Xiu-Fen,Wang, Tao,Li, Yan,Wu, Yun,Sheng, Jie,Wang, Rui,Li, Chao,Bian, Kang-Jie,Wang, Xi-Sheng. "Palladium(II)-Catalyzed C(sp2)-H Carbonylation of Sterically Hindered Amines with Carbon Monoxide". supporting information. p. 6530 - 6533. Retrieved 2018/10/20.