4-Borono-3,5-difluorobenzoic acid

Base Information

Chemical Name:4-Borono-3,5-difluorobenzoic acid
CAS No.:1031857-98-3
Molecular Formula:C7H5BF2O4
Molecular Weight:201.922
Hs Code.:2931900090
European Community (EC) Number:833-273-7
DSSTox Substance ID:DTXSID60681718
Wikidata:Q82605851
Mol file:1031857-98-3.mol

Synonyms:4-Borono-3,5-difluorobenzoic acid;1031857-98-3;2,6-Difluoro-4-carboxyphenylboronic acid;4-Borono-3,5-difluorobenzoicacid;SCHEMBL10059744;DTXSID60681718;QJZJINMQKWVLJB-UHFFFAOYSA-N;MFCD17214253;AKOS015833545;AB93129;MS-20387;CS-0112934;C80094;A896594

Suppliers and Price of 4-Borono-3,5-difluorobenzoic 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-Borono-3,5-difluorobenzoicAcid
250mg
$ 75.00

Crysdot
4-Borono-3,5-difluorobenzoicacid 95+%
5g
$ 708.00

Chemenu
4-Borono-3,5-difluorobenzoicacid 97%
1g
$ 198.00

AOBChem
2,6-Difluoro-4-carboxyphenylboronicacid 95%
10g
$ 1320.00

American Custom Chemicals Corporation
4-BORONO-3,5-DIFLUOROBENZOIC ACID 95.00%
1G
$ 500.85

Ambeed
4-Borono-3,5-difluorobenzoicacid 98%
250mg
$ 84.00

Ambeed
4-Borono-3,5-difluorobenzoicacid 98%
100mg
$ 50.00

Ambeed
4-Borono-3,5-difluorobenzoicacid 98%
1g
$ 217.00

AK Scientific
2,6-Difluoro-4-carboxyphenylboronicacid
5g
$ 1171.00

Total 15 raw suppliers

Chemical Property of 4-Borono-3,5-difluorobenzoic acid

Chemical Property:

Boiling Point:389.7±52.0 °C(Predicted)
PKA:3.40±0.10(Predicted)
PSA：77.76000
Density:1.58±0.1 g/cm3(Predicted)
LogP:-0.65720
Storage Temp.:Refrigerated.
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:202.0248951
Heavy Atom Count:14
Complexity:214

Purity/Quality:

97% ^*data from raw suppliers

4-Borono-3,5-difluorobenzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=C(C=C(C=C1F)C(=O)O)F)(O)O

Technology Process of 4-Borono-3,5-difluorobenzoic acid

There total 2 articles about 4-Borono-3,5-difluorobenzoic 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: 90.0%

: 121-43-7,63156-11-6
Trimethyl borate

: 455-40-3
3,5-difluorobenzoic acid

: 1031857-98-3
2,6-difluoro-4-carboxylphenylboronic acid

Guidance literature:: 3,5-difluorobenzoic acid; With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 2.5h; Inert atmosphere;

Trimethyl borate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 4h; Inert atmosphere;
DOI:10.1016/j.bmcl.2013.09.064

Reference yield: 75.0%

: 455-40-3
3,5-difluorobenzoic acid

: 1031857-98-3
2,6-difluoro-4-carboxylphenylboronic acid

Guidance literature:: 3,5-difluorobenzoic acid; With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -78 ℃; for 1.25h;

With Trimethyl borate; In tetrahydrofuran; cyclohexane; at -78 - 20 ℃; for 3h; Further stages.;
DOI:10.1016/j.tetlet.2008.03.021