((2,6-Bis(1-methylethyl)phenoxy)sulfonyl)carbamic acid 2,6-bis(1-methylethyl)phenyl ester

Base Information

• Chemical Name: ((2,6-Bis(1-methylethyl)phenoxy)sulfonyl)carbamic acid 2,6-bis(1-methylethyl)phenyl ester
• CAS No.: 142642-31-7
• Molecular Formula: C25H35 N O5 S
• Molecular Weight: 461.61
• DSSTox Substance ID: DTXSID20162114
• Nikkaji Number: J664.741C
• ChEMBL ID: CHEMBL22279
• Mol file: 142642-31-7.mol

Synonyms:((2,6-bis(1-methylethyl)phenoxy)sulfonyl)carbamic acid 2,6-bis(1-methylethyl)phenyl ester;2,6-bis(1-methylethyl)phenyl ((2,6-bis(1-methylethyl)phenoxy)sulfonyl)carbamate;bis(2,6-MEPO)-CNS;PD 138142;PD 138142-15;PD-138142;PD-138142-15;PD138142;PD138142-15

Chemical Property of ((2,6-Bis(1-methylethyl)phenoxy)sulfonyl)carbamic acid 2,6-bis(1-methylethyl)phenyl ester

Chemical Property:

• PSA: 90.08000
• Density: 1.128g/cm³
• LogP: 8.06410
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 461.22359439
• Heavy Atom Count: 32
• Complexity: 666

Purity/Quality:

99%min ^*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)OC(=O)NS(=O)(=O)OC2=C(C=CC=C2C(C)C)C(C)C

Technology Process of ((2,6-Bis(1-methylethyl)phenoxy)sulfonyl)carbamic acid 2,6-bis(1-methylethyl)phenyl ester

There total 2 articles about ((2,6-Bis(1-methylethyl)phenoxy)sulfonyl)carbamic acid 2,6-bis(1-methylethyl)phenyl ester 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: 72.0%

isocyanate de chlorosulfonyle (1189-71-5) + 2,6-diisopropylphenol (2078-54-8) → 2,6-bis(1-methylethyl)phenyl <<2,6-bis(1-methylethyl)phenoxy>sulfonyl>carbamate (142642-31-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 72h; Ambient temperature;

DOI:10.1021/jm9509455

Reference yield:

2,6-diisopropylphenol (2078-54-8) + 2,6-bis(1-methylethyl)phenyl (chlorosulfonyl)carbamate (92007-54-0) → 2,6-bis(1-methylethyl)phenyl <<2,6-bis(1-methylethyl)phenoxy>sulfonyl>carbamate (142642-31-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; ethyl acetate;

Reference yield:

1,8-diazabicyclo[5.4.0]undec-7-ene (6674-22-2,83329-50-4) + 2,6-bis(1-methylethyl)phenyl <<2,6-bis(1-methylethyl)phenoxy>sulfonyl>carbamate (142642-31-7) + methyl iodide (74-88-4) → 2,6-bis(1-methylethyl)phenyl[[2,6-bis(1-methylethyl)phenoxy]sulfonyl]methyl carbamate

Guidance literature:

With hydrogenchloride; In acetonitrile;

upstream raw materials:

isocyanate de chlorosulfonyle

2,6-diisopropylphenol

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

Refernces

• 1、 Sliskovic,Krause,Picard,Anderson,Bousley,Hamelehle,Homan,Julian,Rashidbaigi,Stanfield. "Inhibitors of acyl-coA:cholesterol O-acyl transferase (ACAT) as hypocholesterolemic agents. 6. The first water-soluble ACAT inhibitor with lipid-regulating activity [2]". . p. 560 - 562. Retrieved 2007/10/02.