1-Benzenesulfonyl-3-ethynyl-1H-indole

Base Information

Chemical Name:1-Benzenesulfonyl-3-ethynyl-1H-indole
CAS No.:389122-86-5
Molecular Formula:C16H11 N O2 S
Molecular Weight:281.32904
Hs Code.:
DSSTox Substance ID:DTXSID00587760
Nikkaji Number:J2.465.319F
Mol file:389122-86-5.mol

Synonyms:1-BENZENESULFONYL-3-ETHYNYL-1H-INDOLE;389122-86-5;DTXSID00587760;1-(Benzenesulfonyl)-3-ethynyl-1H-indole;DB-259391

Suppliers and Price of 1-Benzenesulfonyl-3-ethynyl-1H-indole

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
1-BENZENESULFONYL-3-ETHYNYL-1H-INDOLE 95.00%
5MG
$ 502.02

Total 2 raw suppliers

Chemical Property of 1-Benzenesulfonyl-3-ethynyl-1H-indole

Chemical Property:

Vapor Pressure:1.35E-09mmHg at 25°C
Refractive Index:1.616
Boiling Point:486°C at 760 mmHg
Flash Point:247.7°C
PSA：47.45000
Density:1.19g/cm³
LogP:3.94040
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:281.05104977
Heavy Atom Count:20
Complexity:492

Purity/Quality:

97% ^*data from raw suppliers

1-BENZENESULFONYL-3-ETHYNYL-1H-INDOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3

Technology Process of 1-Benzenesulfonyl-3-ethynyl-1H-indole

There total 9 articles about 1-Benzenesulfonyl-3-ethynyl-1H-indole 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: 37.0%

: 327154-67-6
3-(2,2-dibromoethenyl)-1-(phenylsulfonyl)indole

: 389122-86-5
3-ethynyl-1-(phenylsulfonyl)indole

Guidance literature:: With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃;
DOI:10.1080/00397910601133631

Reference yield:

: 26340-47-6
3-Iodo-1H-indole

: 389122-86-5
3-ethynyl-1-(phenylsulfonyl)indole

Guidance literature:: Multi-step reaction with 3 steps

1: NaH

2: CuI; Et₃N / Pd(PPh₃)4

3: K₂CO₃ / methanol

With copper(l) iodide; sodium hydride; potassium carbonate; triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In methanol;
DOI:10.1021/jo049381f

Reference yield:

: 120-72-9
indole

: 389122-86-5
3-ethynyl-1-(phenylsulfonyl)indole

Guidance literature:: Multi-step reaction with 4 steps

1: I₂; KOH

2: NaH

3: CuI; Et₃N / Pd(PPh₃)4

4: K₂CO₃ / methanol

With potassium hydroxide; copper(l) iodide; iodine; sodium hydride; potassium carbonate; triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In methanol;
DOI:10.1021/jo049381f