2,6-Diisopropylphenoxysulfonyl isocyanate

Base Information

• Chemical Name: 2,6-Diisopropylphenoxysulfonyl isocyanate
• CAS No.: 73748-46-6
• Molecular Formula: C13H17 N O4 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID70442872
• Nikkaji Number: J850.863A
• Mol file: 73748-46-6.mol

Synonyms:73748-46-6;2,6-Diisopropylphenoxysulfonyl isocyanate;SCHEMBL8498478;DTXSID70442872;IBAGCVWNMZCROC-UHFFFAOYSA-N;AG-G-92061;2,6-diisopropylphenoxy sulfonyl isocyanate;(2,6-Diisopropylphenoxysulfonyl) isocyanate

Chemical Property of 2,6-Diisopropylphenoxysulfonyl isocyanate

Chemical Property:

• PSA: 81.18000
• LogP: 3.97360
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 283.08782920
• Heavy Atom Count: 19
• Complexity: 416

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)N=C=O

Technology Process of 2,6-Diisopropylphenoxysulfonyl isocyanate

There total 3 articles about 2,6-Diisopropylphenoxysulfonyl isocyanate 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: 89.0%

isocyanate de chlorosulfonyle (1189-71-5) + 2,6-diisopropylphenol (2078-54-8) → <2,6-bis(1-methylethyl)phenoxy>sulfonyl isocyanate (73748-46-6)

Guidance literature:

In toluene; for 16h; Heating;

DOI:10.1021/jm9509455

Reference yield:

2,6-bis(1-methylethyl)phenyl (chlorosulfonyl)carbamate (92007-54-0) → <2,6-bis(1-methylethyl)phenoxy>sulfonyl isocyanate (73748-46-6)

Guidance literature:

In chlorobenzene; for 12h; Heating;

Reference yield:

2,6-diisopropylphenol (2078-54-8) → <2,6-bis(1-methylethyl)phenoxy>sulfonyl isocyanate (73748-46-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / diethyl ether / -10 deg C then room temp., 30 min.

2: chlorobenzene / 12 h / Heating

In diethyl ether; chlorobenzene;

upstream raw materials:

2,6-bis(1-methylethyl)phenyl (chlorosulfonyl)carbamate

isocyanate de chlorosulfonyle

2,6-diisopropylphenol

Downstream raw materials:

N-(tert-amyl) sulfamate de isopropyl-2,6 phenyle

N-(adamantyl-1) sulfamate de diisopropyl-2,6 phenyle

N-(diisopropyl-2,6 phenoxysulfonyl) carbamate d'adamantyle-2

sulfamate de diisopropyl-2,6 phenyle