4-(4-Tert-butylphenyl)-4-oxobutanoic acid

Base Information Edit

Chemical Name:4-(4-Tert-butylphenyl)-4-oxobutanoic acid
CAS No.:35288-08-5
Molecular Formula:C14H18O3
Molecular Weight:234.295
Hs Code.:2918300090
DSSTox Substance ID:DTXSID70366403
Wikidata:Q82151605
ChEMBL ID:CHEMBL4460800
Mol file:35288-08-5.mol

Synonyms:4-(4-tert-butylphenyl)-4-oxobutanoic acid;35288-08-5;4-(4-tert-Butylphenyl)-4-oxobutyric acid;4-(4-tert-Butyl-phenyl)-4-oxo-butyric acid;4-(4-(tert-Butyl)phenyl)-4-oxobutanoic acid;CHEMBL4460800;MFCD02260961;Enamine_005043;SCHEMBL2051247;DTXSID70366403;XJHBTHNAMOUNRQ-UHFFFAOYSA-N;HMS1408F05;BBL003966;BDBM50530944;STK803608;3-(4-tert-butylbenzoyl)propionic acid;AKOS000118691;FS-4274;3-(4-tert-Butylbenzoyl)-propionic acid;4-(4-t-butylphenyl)-4-oxobutyric acid;IDI1_007630;4-(4-tert-Butylphenyl)-4-oxobutyricacid;4-(4-(tert-Butyl)phenyl)-4-oxobutanoicacid;4-(4-tert-butylphenyl)-4-oxo-butanoic acid;BB 0217987;CS-0117237;FT-0639251;EN300-05024;E89219;A822709;SR-01000039819;SR-01000039819-1;Z56889032;F6782-3511;HH4

Suppliers and Price of 4-(4-Tert-butylphenyl)-4-oxobutanoic acid

Supply Marketing:Edit

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

Rieke Metals
4-(4-t-butylphenyl)-4-oxobutyricacid 97%
5g
$ 1514.00

Rieke Metals
4-(4-t-butylphenyl)-4-oxobutyricacid 97%
1g
$ 366.00

Rieke Metals
4-(4-t-butylphenyl)-4-oxobutyricacid 97%
2g
$ 618.00

Matrix Scientific
4-(4-tert-Butylphenyl)-4-oxobutanoic acid
500mg
$ 237.00

Crysdot
4-(4-(tert-Butyl)phenyl)-4-oxobutanoicacid 95+%
25g
$ 351.00

Biosynth Carbosynth
4-(4-tert-Butylphenyl)-4-oxobutanoic acid
1 g
$ 255.00

Biosynth Carbosynth
4-(4-tert-Butylphenyl)-4-oxobutanoic acid
500 mg
$ 150.00

Biosynth Carbosynth
4-(4-tert-Butylphenyl)-4-oxobutanoic acid
2 g
$ 434.00

Biosynth Carbosynth
4-(4-tert-Butylphenyl)-4-oxobutanoic acid
250 mg
$ 85.00

Biosynth Carbosynth
4-(4-tert-Butylphenyl)-4-oxobutanoic acid
5 g
$ 868.00

Total 11 raw suppliers

Chemical Property of 4-(4-Tert-butylphenyl)-4-oxobutanoic acid Edit

Chemical Property:

Vapor Pressure:3.31E-07mmHg at 25°C
Melting Point:122-125 °C
Refractive Index:1.52
Boiling Point:402.6 °C at 760 mmHg
PKA:4.57±0.17(Predicted)
Flash Point:211.5 °C
PSA：54.37000
Density:1.088 g/cm³
LogP:3.03160
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:234.125594432
Heavy Atom Count:17
Complexity:280

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-t-butylphenyl)-4-oxobutyricacid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-(4-Tert-butylphenyl)-4-oxobutanoic acid

There total 5 articles about 4-(4-Tert-butylphenyl)-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: 97.0%

: 108-30-5
succinic acid anhydride

: 253185-03-4,253185-04-5
tert-butylbenzene

: 35288-08-5
4-(4-tert-butylphenyl)-4-oxobutyric acid

Guidance literature:: succinic acid anhydride; tert-butylbenzene; With aluminum (III) chloride; In 1,1-dichloroethane; at 20 ℃; for 1h; Heating / reflux;

With hydrogenchloride; In 1,1-dichloroethane; water; at 20 ℃; for 0.166667h;

Reference yield: 87.0%

: 108-30-5
succinic acid anhydride

: 154318-75-9
4-tert-butylphenyl triflate

: 35288-08-5
4-(4-tert-butylphenyl)-4-oxobutyric acid

Guidance literature:: With [2,2]bipyridinyl; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; chloro-trimethyl-silane; zinc(II) iodide; zinc; In N,N-dimethyl acetamide; at 80 ℃; for 12h; Inert atmosphere; Sealed tube;
DOI:10.1021/acs.orglett.8b00114