1-(p-Methylbenzyl)cyclopropanecarboxylic acid

Base Information

• Chemical Name: 1-(p-Methylbenzyl)cyclopropanecarboxylic acid
• CAS No.: 1804-28-0
• Molecular Formula: C12H14 O2
• Molecular Weight: 190.242
• European Community (EC) Number: 217-294-3
• DSSTox Substance ID: DTXSID00170959
• Nikkaji Number: J199.626F
• Wikidata: Q83040979
• Mol file: 1804-28-0.mol

Synonyms:1-(p-Methylbenzyl)cyclopropanecarboxylic acid;1804-28-0;1-[(4-methylphenyl)methyl]cyclopropane-1-carboxylic acid;EINECS 217-294-3;SCHEMBL12027333;DTXSID00170959;AKOS014312077;1-(4-methylbenzyl)cyclopropane-1-carboxylic acid;1-[(4-Methylphenyl)methyl]cyclopropanecarboxylic acid;Cyclopropanecarboxylic acid, 1-((4-methylphenyl)methyl)-

Chemical Property of 1-(p-Methylbenzyl)cyclopropanecarboxylic acid

Chemical Property:

• Vapor Pressure: 6.86E-05mmHg at 25°C
• Boiling Point: 330°Cat760mmHg
• Flash Point: 153.8°C
• PSA: 37.30000
• Density: 1.2g/cm³
• LogP: 2.40230
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

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

1-[(4-methylphenyl)methyl]cyclopropane-1-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CC2(CC2)C(=O)O

Technology Process of 1-(p-Methylbenzyl)cyclopropanecarboxylic acid

There total 4 articles about 1-(p-Methylbenzyl)cyclopropanecarboxylic 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:

ethyl 1-(p-methylbenzyl)cyclopropanecarboxylate (1621-32-5) → 1-(p-methylbenzyl)cyclopropanecarboxylic acid (1804-28-0)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/jm00299a007

Reference yield:

→ 1-(p-methylbenzyl)cyclopropanecarboxylic acid (1804-28-0)

Guidance literature:

Ethylester, NaOH/H2O;

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 1-(cyclopropylidenemethyl)-4-methylbenzene (55088-80-7) → p-Methyl-α-ethyl-zimtsaeure (27687-43-0) + 1-(p-methylbenzyl)cyclopropanecarboxylic acid (1804-28-0)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In toluene; at 0 ℃; for 4h; under 760.051 Torr; Title compound not separated from byproducts.;

DOI:10.1039/b515684j

upstream raw materials:

ethyl 1-(p-methylbenzyl)cyclopropanecarboxylate

carbon dioxide

1-(cyclopropylidenemethyl)-4-methylbenzene

Downstream raw materials:

1-[(p-tolyl)methyl]cyclopropanecarbonyl chloride

1-(4-Methyl-benzyl)-cyclopropylamine

[1-(4-Methyl-benzyl)-cyclopropyl]-carbamic acid ethyl ester