4-(Thiophen-2-yl)benzoate

Base Information

Chemical Name:4-(Thiophen-2-yl)benzoate
CAS No.:29886-62-2
Molecular Formula:C11H8O2S
Molecular Weight:204.249
Hs Code.:2934999090
DSSTox Substance ID:DTXSID60952339
Wikidata:Q82930902
Mol file:29886-62-2.mol

Synonyms:4-(thiophen-2-yl)benzoate;DTXSID60952339;A820096;4-(2-thienyl)benzoate;4-(Thiophen-2-yl)benzoic acid

Suppliers and Price of 4-(Thiophen-2-yl)benzoate

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-Thienyl)benzoicAcid
500mg
$ 55.00

TRC
4-(2-Thienyl)benzoicAcid
100mg
$ 45.00

SynQuest Laboratories
4-(Thien-2-yl)benzoic acid
10 g
$ 280.00

SynQuest Laboratories
4-(Thien-2-yl)benzoic acid
5 g
$ 160.00

SynChem
4-Thiophen-2-yl-benzoic acid 95+%
10 g
$ 295.00

SynChem
4-Thiophen-2-yl-benzoic acid 95+%
5 g
$ 160.00

SynChem
4-Thiophen-2-yl-benzoic acid 95+%
1 g
$ 40.00

Sigma-Aldrich
4-(Thiophen-2-yl)benzoic acid 97%
1g
$ 79.00

Medical Isotopes, Inc.
4-(Thiophen-2-yl)benzoic acid 96%
5 g
$ 440.00

Matrix Scientific
4-Thiophen-2-yl-benzoic acid 95+%
1g
$ 139.00

Total 38 raw suppliers

Chemical Property of 4-(Thiophen-2-yl)benzoate

Chemical Property:

Vapor Pressure:3.23E-06mmHg at 25°C
Melting Point:240 °C
Boiling Point:372.8 °C at 760 mmHg
PKA:4.22±0.10(Predicted)
Flash Point:179.3 °C
PSA：65.54000
Density:1.303 g/cm³
LogP:3.11330
Storage Temp.:2-8°C(protect from light)
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:203.01667564
Heavy Atom Count:14
Complexity:204

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Thienyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi，Xn
Hazard Codes:Xi,Xn
Statements: 22
Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CSC(=C1)C2=CC=C(C=C2)C(=O)[O-]
Uses 4-(2-Thienyl)benzoic Acid is a reagent used in the solid-phase Suzuki coupling reactions and in the preparation of combinatorial libraries

Technology Process of 4-(Thiophen-2-yl)benzoate

There total 18 articles about 4-(Thiophen-2-yl)benzoate 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: 99.0%

: 6165-68-0
thiophene boronic acid

: 619-58-9
4-iodobenzoic acid

: 29886-62-2
4-thiophen-2-yl-benzoic acid

Guidance literature:: With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,4-dioxane; water; for 12h; Reflux;
DOI:10.1021/acs.jmedchem.6b01109

Reference yield: 85.0%

: 17595-86-7
methyl 4-(2-thienyl)benzoate

: 29886-62-2
4-thiophen-2-yl-benzoic acid

Guidance literature:: With water; potassium hydroxide; In tetrahydrofuran; ethanol; Reflux;
DOI:10.1002/chem.201705710

Reference yield: 85.0%

: 586-76-5
4-Bromobenzoic acid

: 15106-95-3
bis(thien-2-yl)zinc

: 29886-62-2
4-thiophen-2-yl-benzoic acid

Guidance literature:: With dichloro{bis[1-(dicyclohexylphosphanyl)piperidine]}palladium(II); In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 100 ℃; for 18h; In air;
DOI:10.1002/chem.201001201