Truxillic acid

Base Information

Chemical Name:Truxillic acid
CAS No.:4462-95-7
Molecular Formula:C18H16O4
Molecular Weight:296.323
Hs Code.:2917399090
European Community (EC) Number:224-724-3
NSC Number:103001
UNII:821BB4R21V
DSSTox Substance ID:DTXSID20196252,DTXSID501316746
Nikkaji Number:J12.581D,J14.373A,J780.360E,J8.735A
Wikipedia:Truxillic_acid
Wikidata:Q6172554,Q27269288
ChEMBL ID:CHEMBL1098368,CHEMBL4277988
Mol file:4462-95-7.mol

Synonyms:truxillic acid;truxillic acid, (1alpha,2alpha,3beta,4beta)-isomer

Suppliers and Price of Truxillic 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

American Custom Chemicals Corporation
2,4-DIPHENYL-1,3-CYCLOBUTANEDICARBOXYLIC ACID 95.00%
5MG
$ 499.41

AK Scientific
Truxillicacid
100mg
$ 302.00

AK Scientific
Truxillicacid
50mg
$ 218.00

Total 10 raw suppliers

Chemical Property of Truxillic acid

Chemical Property:

Vapor Pressure:1.18E-09mmHg at 25°C
Melting Point:228 °C
Refractive Index:1.629
Boiling Point:470.5 °C at 760 mmHg
PKA:3.84±0.70(Predicted)
Flash Point:252.4 °C
PSA：74.60000
Density:1.323 g/cm³
LogP:2.96920
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:296.10485899
Heavy Atom Count:22
Complexity:369

Purity/Quality:

99% ^*data from raw suppliers

2,4-DIPHENYL-1,3-CYCLOBUTANEDICARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2C(C(C2C(=O)O)C3=CC=CC=C3)C(=O)O

Technology Process of Truxillic acid

There total 9 articles about Truxillic 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%

: 2,4-diphenylcyclobutane-1,3-dimethanol

: 4462-95-7
α-truxillic acid

Guidance literature:: With chromium(VI) oxide; sulfuric acid; In water; acetone; at -5 - 20 ℃; for 4h; Inert atmosphere;
DOI:10.1021/jacs.8b09677

Reference yield:

: 140-10-3
(E)-3-phenylacrylic acid

: 4462-95-7
α-truxillic acid

Guidance literature:: at -183.16 ℃; UV-irradiation;
DOI:10.1039/b802103a

Reference yield:

: 1504-58-1
3-Phenyl-2-propyn-1-ol

: 4462-95-7
α-truxillic acid

Guidance literature:: Multi-step reaction with 3 steps

1: bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; (2-aminoethyl)diphenylphosphane; triethyl borane; methanol / tetrahydrofuran / 50 °C / Glovebox; Sealed tube; Inert atmosphere

2: palladium 10% on activated carbon; hydrogen / methanol / 60 °C / 45004.5 Torr

3: chromium(VI) oxide; sulfuric acid / water; acetone / 4 h / -5 - 20 °C / Inert atmosphere

With chromium(VI) oxide; methanol; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; triethyl borane; sulfuric acid; palladium 10% on activated carbon; hydrogen; (2-aminoethyl)diphenylphosphane; In tetrahydrofuran; methanol; water; acetone;
DOI:10.1021/jacs.8b09677