4-Propyl-2-methylbenzoic acid

Base Information

Chemical Name:4-Propyl-2-methylbenzoic acid
CAS No.:190367-30-7
Molecular Formula:C₁₁H₁₄O₂
Molecular Weight:178.231
Hs Code.:
DSSTox Substance ID:DTXSID801307142
Nikkaji Number:J855.116B

Synonyms:190367-30-7;2-methyl-4-propylbenzoic acid;4-Propyl-2-methylbenzoic acid;SCHEMBL10476041;DTXSID801307142

Suppliers and Price of 4-Propyl-2-methylbenzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-Propyl-2-methylbenzoic acid

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:178.099379685
Heavy Atom Count:13
Complexity:177

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCC1=CC(=C(C=C1)C(=O)O)C

Technology Process of 4-Propyl-2-methylbenzoic acid

There total 2 articles about 4-Propyl-2-methylbenzoic 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: 83.0%

: 190367-34-1
2-Methyl-4-propyl-benzoic acid methyl ester

: 190367-30-7
2-Methyl-4-propyl-benzoic acid

Guidance literature:: With sodium hydroxide; In methanol; at 65 ℃; for 4h;
DOI:10.1021/jm960768n

Reference yield:

: 99548-55-7
4-bromo-2-methyl-benzoic acid methyl ester

: 190367-30-7
2-Methyl-4-propyl-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) Mg, 2.) ZnBr₂, 3.) PdCl₂(dppf)

2: 83 percent / 20percent aq. NaOH / methanol / 4 h / 65 °C

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydroxide; magnesium; zinc dibromide; In methanol;
DOI:10.1021/jm960768n