3-(3-METHYLPHENYL)PROPIONIC ACID

Base Information

• Chemical Name: 3-(3-METHYLPHENYL)PROPIONIC ACID
• CAS No.: 3751-48-2
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 29163990
• Mol file: 3751-48-2.mol

Synonyms:Hydrocinnamicacid, m-methyl- (7CI,8CI);3-(3-Methylphenyl)propanoic acid;3-(3-Methylphenyl)propionic acid;3-Methyl-b-phenylpropionic acid;3-Methylbenzenepropanoic acid;3-Methylhydrocinnamic acid;3-m-Tolylpropionic acid;m-Methylhydrocinnamic acid;

Chemical Property of 3-(3-METHYLPHENYL)PROPIONIC ACID

Chemical Property:

• Vapor Pressure: 0.000986mmHg at 25°C
• Melting Point: 39-42 °C(lit.)
• Refractive Index: 1.538
• Boiling Point: 289.9 °C at 760 mmHg
• PKA: pK1:4.677 (25°C)
• Flash Point: 187.1 °C
• PSA: 37.30000
• Density: 1.097 g/cm³
• LogP: 2.01220
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Acetone, DMSO, Methanol

Purity/Quality:

98.0%Min ^*data from raw suppliers

3-m-Tolylpropanoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-41-36/37/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-m-Tolylpropanoic Acid is used in the synthesis of piperidine antagonists as CCR1-selective inhibitors. via parallel synthesis. Also used in the synthesis of small molecule antagonists of vasoactive intestinal. peptide receptor1 (VIPR1).

Technology Process of 3-(3-METHYLPHENYL)PROPIONIC ACID

There total 24 articles about 3-(3-METHYLPHENYL)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%

2-(3-methylphenethyl)-1,3-dioxolane (313058-61-6) → 3-(3-methylphenyl)propanoic acid (3751-48-2)

Guidance literature:

With Oxone; water; In tetrahydrofuran; at 0 - 20 ℃; for 12h;

DOI:10.1002/(SICI)1521-3773(19990802)38:15<2267::AID-ANIE2267>3.0.CO;2-3

Reference yield: 88.0%

2-(3-Methylbenzyl)malonic acid (251963-45-8) → 3-(3-methylphenyl)propanoic acid (3751-48-2)

Guidance literature:

In xylene; for 4h; Heating;

Reference yield: 86.0%

3-methylcinnamic acid (3029-79-6) → 3-(3-methylphenyl)propanoic acid (3751-48-2)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; In dimethyl sulfoxide; at 20 ℃; for 6h; Electrochemical reaction;

upstream raw materials:

3-methylcinnamic acid

(E)-3-methylcinnamic acid

2-(3-Methylbenzyl)malonic acid

β-Propiolactone

Downstream raw materials:

7-methyl-1-indanone

N-[4-(2-methoxycarbonyl-ethyl)-2-methyl-phenyl]-N-[2-(2,3,5,6-tetrahydro-2-pyranyloxy)-ethyl]-trifluoro-acetamide

3-(m-methylphenyl)-1-propanol

3-(3-methylphenyl)propanal

Refernces

• 1、 Huang, Yan,Hou, Jing,Zhan, Le-Wu,Zhang, Qian,Tang, Wan-Ying,Li, Bin-Dong. "Photoredox Activation of Formate Salts: Hydrocarboxylation of Alkenes via Carboxyl Group Transfer". . p. 15004 - 15012. Retrieved 2021/12/14.
• 2、 -. "Synthesis method of succinic acid derivative or 3 -arylpropionic acid (by machine translation)". Paragraph 0101-0114; 0115; 0129. . Retrieved 2020/10/30.