4-(o-Tolyl)butanoic acid

Base Information

Chemical Name:4-(o-Tolyl)butanoic acid
CAS No.:6943-79-9
Molecular Formula:C11H14O2
Molecular Weight:178.231
Hs Code.:2916399090
NSC Number:54789
DSSTox Substance ID:DTXSID60288226
Wikidata:Q82024545
Mol file:6943-79-9.mol

Synonyms:4-(o-Tolyl)butanoic acid;6943-79-9;4-(2-methylphenyl)butanoic acid;4-o-tolylbutanoic acid;MFCD00029856;NSC54789;toluene-butyric acid;4-(o-Tolyl)butanoicacid;2-Methyl-benzenebutanoic acid;SCHEMBL3673001;4-O-TOLYL-BUTYRIC ACID;DTXSID60288226;NSC-54789;AKOS013528601;NS-01529;CS-0317317;FT-0726406;E80305;A846876

Suppliers and Price of 4-(o-Tolyl)butanoic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-o-tolylbutanoicacid
10mg
$ 45.00

Crysdot
4-(o-Tolyl)butanoicacid 95+%
1g
$ 313.00

Acrotein
2-Methyl-benzenebutanoicacid 97%
1g
$ 412.50

Total 11 raw suppliers

Chemical Property of 4-(o-Tolyl)butanoic acid

Chemical Property:

Vapor Pressure:0.000251mmHg at 25°C
Melting Point:60 °C
Boiling Point:310.9°C at 760 mmHg
PKA:4.76±0.10(Predicted)
Flash Point:208°C
PSA：37.30000
Density:1.072g/cm³
LogP:2.40230
Storage Temp.:2-8°C
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:178.099379685
Heavy Atom Count:13
Complexity:166

Purity/Quality:

97% ^*data from raw suppliers

4-o-tolylbutanoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=CC=C1CCCC(=O)O

Technology Process of 4-(o-Tolyl)butanoic acid

There total 22 articles about 4-(o-Tolyl)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: 94.0%

: 192987-39-6
4-(2-methylphenyl)-3-butenoic acid

: 6943-79-9
4-(2-methylphenyl)butanoic acid

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; under 1551.4 Torr;
DOI:10.1021/jm960642q

Reference yield:

: C₁₁H₁₃O₂^(1-)*K⁽¹⁺⁾

: 6943-79-9
4-(2-methylphenyl)butanoic acid

Guidance literature:: With hydrogenchloride; In water; at 20 ℃; Acidic aqueous solution;

Reference yield:

: 36626-29-6
(2-carboxyethyl)triphenylphosphonium chloride

: 6943-79-9
4-(2-methylphenyl)butanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 52 percent / NaH / tetrahydrofuran; dimethylsulfoxide / Ambient temperature

2: 94 percent / H₂ / 10percent Pd/C / ethanol / 1551.4 Torr

With hydrogen; sodium hydride; palladium on activated charcoal; In tetrahydrofuran; ethanol; dimethyl sulfoxide;
DOI:10.1021/jm960642q