4-(4-(Trifluoromethyl)phenyl)butanoic acid

Base Information

Chemical Name:4-(4-(Trifluoromethyl)phenyl)butanoic acid
CAS No.:136295-01-7
Molecular Formula:C11H11F3O2
Molecular Weight:232.19900
Hs Code.:
European Community (EC) Number:857-778-7
DSSTox Substance ID:DTXSID90565335
Wikidata:Q82450384
Mol file:136295-01-7.mol

Synonyms:136295-01-7;4-(4-(trifluoromethyl)phenyl)butanoic acid;4-[4-(trifluoromethyl)phenyl]butanoic acid;4-(4-Trifluoromethyl-phenyl)-butyric acid;4(4'-trifluoromethylphenyl)butanoic acid;4(4/'-trifluoroMethylphenyl)butanoic acid;4-(Trifluoromethyl)-benzenebutanoic acid;SCHEMBL1454387;DTXSID90565335;YZESNPBHOXIPRA-UHFFFAOYSA-N;LH0088;MFCD06810491;AKOS013529303;SB33036;AS-64618;4-(4-(trifluoromethyl)phenyl)butanoicacid;CS-0047352;EN300-118524;W18505;Z1209411176

Suppliers and Price of 4-(4-(Trifluoromethyl)phenyl)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-[4-(Trifluoromethyl)Phenyl]ButanoicAcid
50mg
$ 175.00

J&W Pharmlab
4-(4-Trifluoromethyl-phenyl)-butyricacid 97%
250mg
$ 175.00

AK Scientific
4-[4-(Trifluoromethyl)phenyl]butanoicacid
10g
$ 4328.00

Acrotein
4-(Trifluoromethyl)-benzenebutanoicacid 97%
0.25g
$ 137.50

Total 8 raw suppliers

Chemical Property of 4-(4-(Trifluoromethyl)phenyl)butanoic acid

Chemical Property:

Boiling Point:297.9±35.0 °C(Predicted)
PKA:4.71±0.10(Predicted)
PSA：37.30000
Density:1.266±0.06 g/cm3(Predicted)
LogP:3.11270
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:232.07111408
Heavy Atom Count:16
Complexity:230

Purity/Quality:

97% ^*data from raw suppliers

4-[4-(Trifluoromethyl)Phenyl]ButanoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CCCC(=O)O)C(F)(F)F

Technology Process of 4-(4-(Trifluoromethyl)phenyl)butanoic acid

There total 4 articles about 4-(4-(Trifluoromethyl)phenyl)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: 53.0%

: 136295-01-7
4-(4-(trifluoromethyl)phenyl)butanoic acid

Guidance literature:

Reference yield:

: 4-(4-(trifluoromethyl)phenyl)but-3-enoic acid

: 136295-01-7
4-(4-(trifluoromethyl)phenyl)butanoic acid

Guidance literature:: With hydrogen; palladium on activated charcoal; In tetrahydrofuran; at 20 ℃; for 3h; under 760.208 Torr;
DOI:10.1081/SCC-200032474

Reference yield:

: 625-38-7
but-3-enoic acid

: 128796-39-4
4-trifluoromethylphenylboronic acid

: 136295-01-7
4-(4-(trifluoromethyl)phenyl)butanoic acid

Guidance literature:: With propan-1-ol; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; potassium tert-butylate; 4,4-dibenzyl-2-(pyridin-2-yl)-4,5-dihydrooxazole; at 60 ℃; regioselective reaction; Sealed tube;
DOI:10.1002/anie.202010840