4-(2,4-Dimethylphenyl)-4-oxobutanoic acid

Base Information

Chemical Name:4-(2,4-Dimethylphenyl)-4-oxobutanoic acid
CAS No.:15880-03-2
Molecular Formula:C12H14O3
Molecular Weight:206.241
Hs Code.:2918300090
NSC Number:163163
DSSTox Substance ID:DTXSID70303878
Nikkaji Number:J1.429.872J
Wikidata:Q82049369
Mol file:15880-03-2.mol

Synonyms:4-(2,4-Dimethylphenyl)-4-oxobutanoic acid;15880-03-2;4-(2,4-Dimethyl-phenyl)-4-oxo-butyric acid;3-(2,4-Dimethylbenzoyl)propionic acid;MFCD00020536;3-(2,4-Dimethylbenzoyl)-propionic acid;NSC163163;Oprea1_008185;SCHEMBL3519350;DTXSID70303878;STK256887;AKOS000100067;NSC-163163;NS-02223;4-(2,4-Dimethylphenyl)-4-oxobutanoicacid;4-(2,4-dimethylphenyl)-4-oxobutyric acid;4-(2,4-Dimethyl-phenyl)-4-oxobutyric acid;BB 0217154;CS-0313278;FT-0725422;3-(2,4-DIMETHYLBENZOYL)PROPIONICACID;4-(2,4-Dimethylphenyl)-4-oxobutanoic acid #;AB-131/40897183

Suppliers and Price of 4-(2,4-Dimethylphenyl)-4-oxobutanoic 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-(2,4-Dimethylphenyl)-4-oxobutanoicAcid
200mg
$ 75.00

Sigma-Aldrich
3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID Aldrich
1g
$ 32.30

Matrix Scientific
4-(2,4-Dimethyl-phenyl)-4-oxo-butyric acid
1g
$ 378.00

Crysdot
4-(2,4-Dimethylphenyl)-4-oxobutanoicacid 97%
100g
$ 461.00

Biosynth Carbosynth
3-(2,4-Dimethylbenzoyl)propionic acid
5 g
$ 52.00

Biosynth Carbosynth
3-(2,4-Dimethylbenzoyl)propionic acid
25 g
$ 167.50

Biosynth Carbosynth
3-(2,4-Dimethylbenzoyl)propionic acid
10 g
$ 83.00

Biosynth Carbosynth
3-(2,4-Dimethylbenzoyl)propionic acid
50 g
$ 265.00

American Custom Chemicals Corporation
4-(2,4-DIMETHYL-PHENYL)-4-OXO-BUTYRIC ACID 95.00%
500MG
$ 777.32

AK Scientific
4-(2,4-Dimethyl-phenyl)-4-oxo-butyricacid
25g
$ 264.00

Total 9 raw suppliers

Chemical Property of 4-(2,4-Dimethylphenyl)-4-oxobutanoic acid

Chemical Property:

Vapor Pressure:9.1E-07mmHg at 25°C
Melting Point:110～113℃
Refractive Index:1.539
Boiling Point:389.6 °C at 760 mmHg
PKA:4.58±0.17(Predicted)
Flash Point:203.6 °C
PSA：54.37000
Density:1.138 g/cm³
LogP:2.35090
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:206.094294304
Heavy Atom Count:15
Complexity:247

Purity/Quality:

98%min ^*data from raw suppliers

4-(2,4-Dimethylphenyl)-4-oxobutanoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)C(=O)CCC(=O)O)C

Technology Process of 4-(2,4-Dimethylphenyl)-4-oxobutanoic acid

There total 5 articles about 4-(2,4-Dimethylphenyl)-4-oxobutanoic 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: 95.0%

: 108-30-5
succinic acid anhydride

: 108-38-3,104809-90-7
m-xylene

: 15880-03-2
4-(2,4-dimethylphenyl)-4-oxobutanoic acid

Guidance literature:: succinic acid anhydride; With aluminum (III) chloride; In n-heptane; at 25 ℃; for 0.166667h;

m-xylene; In n-heptane; at 25 ℃; for 0.5h;

Reference yield:

: C₁₂H₁₅NO₃

: 15880-03-2
4-(2,4-dimethylphenyl)-4-oxobutanoic acid

: (R)-4-amino-4-(2,4-dimethylphenyl)butanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogen; palladium 10% on activated carbon / ethyl acetate / 24 h / 20 °C

2: ω-transaminase from Burkholderia graminis C4D1M; piruvate; pyridoxal 5'-phosphate / dimethyl sulfoxide / 24 h / pH 7.0 / Resolution of racemate; Enzymatic reaction

With palladium 10% on activated carbon; pyridoxal 5'-phosphate; ω-transaminase from Burkholderia graminis C4D1M; hydrogen; piruvate; In dimethyl sulfoxide; ethyl acetate;
DOI:10.1039/c3cc44864a

Reference yield:

: 4-amino-4-(2,4-dimethylphenyl)butanoic acid

: 15880-03-2
4-(2,4-dimethylphenyl)-4-oxobutanoic acid

: (R)-4-amino-4-(2,4-dimethylphenyl)butanoic acid

Guidance literature:: With pyridoxal 5'-phosphate; ω-transaminase from Burkholderia graminis C4D1M; piruvate; In dimethyl sulfoxide; for 24h; pH=7.0; Reagent/catalyst; Resolution of racemate; Enzymatic reaction;
DOI:10.1039/c3cc44864a