O-Benzenedisulfonimide

Base Information

• Chemical Name: O-Benzenedisulfonimide
• CAS No.: 4482-01-3
• Molecular Formula: C6H5NO4S2
• Molecular Weight: 219.242
• Hs Code.: 2934100090
• European Community (EC) Number: 810-929-0
• Nikkaji Number: J934.055F,J3.092.047C
• Mol file: 4482-01-3.mol

Synonyms:O-BENZENEDISULFONIMIDE;4482-01-3;1,2-Benzenedisulfonic Imide;Benzo[d][1,3,2]dithiazole 1,1,3,3-tetraoxide;1lambda6,3lambda6,2-benzodithiazole 1,1,3,3-tetraoxide;1,3,2-Benzodithiazole 1,1,3,3-Tetraoxide;1,2-(Iminobissulfonyl)benzene;SCHEMBL2563736;QRWQFOHBHHIZKG-UHFFFAOYSA-N;MFCD07779379;BS-28682;1,3,2-benzodithiazole 1,1,3,3-tetroxide;B4139;CS-0452616;T70931;Benzo[d][1,3,2]dithiazole1,1,3,3-tetraoxide;2H-benzo[d][1,3,2]dithiazole 1,1,3,3-tetraoxide

Chemical Property of O-Benzenedisulfonimide

Chemical Property:

• Appearance/Colour: Solid
• Melting Point: 192-194°C
• Boiling Point: 456.0±28.0 °C(Predicted)
• PKA: -1.10±0.20(Predicted)
• PSA: 97.07000
• Density: 1.716±0.06 g/cm3(Predicted)
• LogP: 2.15760
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 218.96599999
• Heavy Atom Count: 13
• Complexity: 359

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,2-Benzenedisulfonic Imide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)S(=O)(=O)NS2(=O)=O

Technology Process of O-Benzenedisulfonimide

There total 56 articles about O-Benzenedisulfonimide 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: 95.0%

phenylacetylene (536-74-3) + 2-nitrobenzenediazonium o-benzenedisulfonimide → o-benzenedisulfonimide (4482-01-3) + 1-nitro-2-phenylethynyl-benzene (35010-17-4)

Guidance literature:

With palladium diacetate; dimethyl sulfoxide; at 20 ℃; for 0.0833333h;

DOI:10.1002/ejoc.201301191

Reference yield: 93.0%

tri-n-butylindium (15676-66-1) + 4-toluenediazonium o-benzenedisulfonimide → o-benzenedisulfonimide (4482-01-3) + N-butyl-4-methylaniline (10387-24-3)

Guidance literature:

In tetrahydrofuran; at 20 - 25 ℃;

DOI:10.1002/ejoc.200700931

Reference yield: 92.0%

tri-n-butylindium (15676-66-1) + 4-methoxycarbonylbenzenediazonium o-benzenedisulfonimide → o-benzenedisulfonimide (4482-01-3) + N-(n-butyl)-4-methoxycarbonylaniline (71839-12-8)

Guidance literature:

In tetrahydrofuran; at 20 - 25 ℃;

DOI:10.1002/ejoc.200700931

upstream raw materials:

3-Phenyl-1-propanol

2-(4-Methoxy-benzyl)-benzo[1,3,2]dithiazole 1,1,3,3-tetraoxide

1-Phenylethanol

β-naphthol

Refernces

• 1、 Barbero, Margherita,Cadamuro, Silvano,Dughera, Stefano. "Copper- and phosphane-free sonogashira coupling of arenediazonium o-benzenedisulfonimides". . p. 598 - 605. Retrieved 2014/02/14.
• 2、 Barbero, Margherita,Cadamuro, Silvano,Dughera, Stefano,Ghigo, Giovanni. "Reactions of arenediazonium o-benzenedisulfonimides with aliphatic triorganoindium compounds". scheme or table. p. 862 - 868. Retrieved 2009/04/11.