1-(Phenylsulfonyl)-3-indoleboronic acid

Base Information

Chemical Name:1-(Phenylsulfonyl)-3-indoleboronic acid
CAS No.:129271-98-3
Molecular Formula:C14H12BNO4S
Molecular Weight:301.131
Hs Code.:2933990090
European Community (EC) Number:696-122-2
DSSTox Substance ID:DTXSID70379896
Nikkaji Number:J1.926.753I
Wikidata:Q82169918
Mol file:129271-98-3.mol

Synonyms:129271-98-3;1-(Phenylsulfonyl)-3-indoleboronic acid;1-(phenylsulfonyl)-1H-indol-3-ylboronic acid;(1-(Phenylsulfonyl)-1H-indol-3-yl)boronic acid;[1-(benzenesulfonyl)indol-3-yl]boronic Acid;1-(Phenylsulfonyl)-3-indolylboronic acid;1-(Phenylsulphonyl)-1H-indole-3-boronic acid;MFCD02681892;1-(PHENYLSULFONYL)-1H-INDOLE-3-BORONIC ACID;1-(Phenylsulfonyl)-1H-lndole-3-boronic acid;[1-(benzenesulfonyl)-1H-indol-3-yl]boronic acid;Boronic acid,b-[1-(phenylsulfonyl)-1H-indol-3-yl]-;Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-3-yl]-;SCHEMBL819444;Boronic acid, [1-(phenylsulfonyl)-1H-indol-3-yl]-;DTXSID70379896;YKTZLHLBQGCFQX-UHFFFAOYSA-N;N-phenylsulfonylindole-3-boronic acid;AKOS004116601;AB12152;PS-9485;3-Borono-1-(phenylsulfonyl)-1H-indole;SY232262;[1-(phenylsulfonyl)indol-3-yl]boronic acid;[1-(benzenesulfonyl)-3-indolyl]boronic acid;AM20020374;CS-0131349;FT-0605854;1-benzenesulfonyl-1H-indol-3-yl-boronic acid;1-(Phenylsulfonyl)-1H-indole-3-ylboronic acid;(1-(Phenylsulfonyl)-1H-indol-3-yl)boronicacid;1-(Phenylsulfonyl)-3-indolylboronic acid, 97%;A805919;J-503592

Suppliers and Price of 1-(Phenylsulfonyl)-3-indoleboronic 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
1-(Phenylsulfonyl)-3-indolylboronic acid
1g
$ 220.00

Synthonix
(1-(Phenylsulfonyl)-1H-indol-3-yl)boronicacid 95%
25g
$ 1020.00

Synthonix
(1-(Phenylsulfonyl)-1H-indol-3-yl)boronicacid 95%
10g
$ 510.00

Synthonix
(1-(Phenylsulfonyl)-1H-indol-3-yl)boronicacid 95%
5g
$ 330.00

Synthonix
(1-(Phenylsulfonyl)-1H-indol-3-yl)boronicacid 95%
1g
$ 100.00

SynQuest Laboratories
1-(Phenylsulfonyl)-1H-indole-3-boronic acid 97%
100 mg
$ 26.00

SynChem
1-(Phenylsulfonyl)-1H-Indole-3-boronic acid 95%
10 g
$ 525.00

SynChem
1-(Phenylsulfonyl)-1H-Indole-3-boronic acid 95%
5 g
$ 360.00

SynChem
1-(Phenylsulfonyl)-1H-Indole-3-boronic acid 95%
1 g
$ 95.00

Sigma-Aldrich
1-(Phenylsulfonyl)-3-indolylboronic acid 97%
1g
$ 179.00

Total 40 raw suppliers

Chemical Property of 1-(Phenylsulfonyl)-3-indoleboronic acid

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:144 °C
Refractive Index:1.633
Boiling Point:581.384 °C at 760 mmHg
PKA:7.98±0.30(Predicted)
Flash Point:305.41 °C
PSA：87.91000
Density:1.35 g/cm³
LogP:1.63890
Storage Temp.:2-8°C
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:301.0580092
Heavy Atom Count:21
Complexity:458

Purity/Quality:

97% ^*data from raw suppliers

1-(Phenylsulfonyl)-3-indolylboronic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 24/25-36-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=CN(C2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3)(O)O
Uses 1-(Phenylsulfonyl)-3-indolylboronic acid can be used for chemoselective cross-coupling to form carbon-carbon bonds.

Technology Process of 1-(Phenylsulfonyl)-3-indoleboronic acid

There total 7 articles about 1-(Phenylsulfonyl)-3-indoleboronic 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: 85.0%

: 99655-68-2
3-bromo-1-phenylsulfonyl indole

: 129271-98-3
1-(phenylsulfonyl)-1H-indol-3-ylboronic acid

Guidance literature:: 3-bromo-1-phenylsulfonyl indole; With Triisopropyl borate; tert.-butyl lithium; In tetrahydrofuran;

Further stages.; Acid hydrolysis;
DOI:10.1021/jm070040e

Reference yield:

: 120-72-9
indole

: 129271-98-3
1-(phenylsulfonyl)-1H-indol-3-ylboronic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: 99 percent / NaOH; (n-Bu)4NHSO₄ / CH₂Cl₂

2.1: 95 percent / Br₂ / CCl₄

3.1: t-BuLi; B(O-i-Pr)3 / tetrahydrofuran

3.2: 85 percent / Acid hydrolysis

With sodium hydroxide; Triisopropyl borate; bromine; tert.-butyl lithium; tetra(n-butyl)ammonium hydrogensulfate; In tetrahydrofuran; tetrachloromethane; dichloromethane;
DOI:10.1021/jm070040e

Reference yield:

: 40899-71-6
1-benzenesulfonylindole

: 129271-98-3
1-(phenylsulfonyl)-1H-indol-3-ylboronic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: 95 percent / Br₂ / CCl₄

2.1: t-BuLi; B(O-i-Pr)3 / tetrahydrofuran

2.2: 85 percent / Acid hydrolysis

With Triisopropyl borate; bromine; tert.-butyl lithium; In tetrahydrofuran; tetrachloromethane;
DOI:10.1021/jm070040e