N-(p-Toluenesulfonyl)indole-3-boronic acid

Base Information

Chemical Name:N-(p-Toluenesulfonyl)indole-3-boronic acid
CAS No.:149108-61-2
Molecular Formula:C15H14 B N O4 S
Molecular Weight:315.157
Hs Code.:2933990090
DSSTox Substance ID:DTXSID00397427
Nikkaji Number:J1.325.867H
Wikidata:Q82198745
Mol file:149108-61-2.mol

Synonyms:N-(p-Toluenesulfonyl)indole-3-boronic acid;149108-61-2;(1-tosyl-1H-Indol-3-yl)boronic acid;[1-(4-methylphenyl)sulfonylindol-3-yl]boronic Acid;1-TOSYL-3-INDOLEBORONIC ACID;1-TOSYL-1H-INDOL-3-YL-3-BORONIC ACID;SCHEMBL1723740;DTXSID00397427;XADMCCFJOAXDPE-UHFFFAOYSA-N;ZFA10861;1-Tosyl-1H-indole-3-ylboronic acid;MFCD03093101;AKOS004116041;AB13214;BS-21505;CS-0112839;E84181;A884303;N-(P-TOLUENESULFONYL)INDOLE-3-BORONICACID;J-505160;[1-(4-methylbenzenesulfonyl)-1H-indol-3-yl]boronic acid

Suppliers and Price of N-(p-Toluenesulfonyl)indole-3-boronic 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
N-(P-Toluenesulfonyl)indole-3-boronicacid
100mg
$ 65.00

Crysdot
(1-tosyl-1H-Indol-3-yl)boronicacid 95+%
5g
$ 508.00

American Custom Chemicals Corporation
N-(PARA-TOLUENESULFONYL)INDOLE-3-BORONIC ACID 95.00%
1G
$ 271.95

Alichem
(1-tosyl-1H-Indol-3-yl)boronicacid
5g
$ 559.17

AK Scientific
N-(P-Toluenesulfonyl)indole-3-boronicacid
1g
$ 231.00

Absolute Chiral
[1-(p-tolylsulfonyl)indol-3-yl]boronicacid 95%
50 mg
$ 198.00

Total 14 raw suppliers

Chemical Property of N-(p-Toluenesulfonyl)indole-3-boronic acid

Chemical Property:

Boiling Point:581.5±60.0 °C(Predicted)
PKA:7.90±0.30(Predicted)
PSA：87.91000
Density:1.32±0.1 g/cm3(Predicted)
LogP:1.94730
Storage Temp.:2-8°C
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:315.0736593
Heavy Atom Count:22
Complexity:484

Purity/Quality:

97% ^*data from raw suppliers

N-(P-Toluenesulfonyl)indole-3-boronicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=CN(C2=CC=CC=C12)S(=O)(=O)C3=CC=C(C=C3)C)(O)O

Technology Process of N-(p-Toluenesulfonyl)indole-3-boronic acid

There total 3 articles about N-(p-Toluenesulfonyl)indole-3-boronic 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: 82.0%

: 31271-90-6
1-(p-toluenesulfonyl)-1H-indole

: 149108-61-2
1-tosyl-1H-indol-3-boronic acid

Guidance literature:: 1-(p-toluenesulfonyl)-1H-indole; With perchloric acid; mercury(II) diacetate; acetic acid; In water;

With borane-THF;

With water;
DOI:10.1080/10286020903413385

Reference yield:

: C₁₇H₁₈BNO₄S

: 149108-61-2
1-tosyl-1H-indol-3-boronic acid

Guidance literature:: With methanol; In tetrahydrofuran; pentane; at -78 - 20 ℃; Inert atmosphere;
DOI:10.1002/ddr.20391

Reference yield:

: 170456-80-1
3-iodo-1-tosyl-1-indole

: 149108-61-2
1-tosyl-1H-indol-3-boronic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: tert.-butyl lithium / tetrahydrofuran; pentane / 0.5 h / -78 °C / Inert atmosphere

1.2: 1 h / -78 °C / Inert atmosphere

2.1: methanol / tetrahydrofuran; pentane / -78 - 20 °C / Inert atmosphere

With methanol; tert.-butyl lithium; In tetrahydrofuran; pentane;
DOI:10.1002/ddr.20391