Diisopropyl sulfate

Base Information

• Chemical Name: Diisopropyl sulfate
• CAS No.: 2973-10-6
• Molecular Formula: C6H14 O4 S
• Molecular Weight: 182.241
• Hs Code.: 2930909899
• European Community (EC) Number: 221-011-9
• UNII: 5OX41CNH1C
• DSSTox Substance ID: DTXSID3073131
• Nikkaji Number: J48.691D
• Wikidata: Q27155873
• Mol file: 2973-10-6.mol

Synonyms:diisopropyl sulfate;diisopropylsulfate

Chemical Property of Diisopropyl sulfate

Chemical Property:

• Vapor Pressure: 0.0724mmHg at 25°C
• Melting Point: -19oC
• Refractive Index: 1.4070-1.4110
• Boiling Point: 94 °C / 7mmHg
• Flash Point: 96.8°C
• PSA: 60.98000
• Density: 1.10
• LogP: 2.16200
• Storage Temp.: Freezer
• Water Solubility.: Slightly soluble in water
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 182.06128010
• Heavy Atom Count: 11
• Complexity: 171

Purity/Quality:

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

Diisopropyl Sulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OS(=O)(=O)OC(C)C

Technology Process of Diisopropyl sulfate

There total 9 articles about Diisopropyl sulfate 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: 25.0%

triisopropyl phosphite (116-17-6) → diisopropyl sulfate (2973-10-6) + triisopropyl phosphate (513-02-0) + thiophosphoric acid O,O',O''-triisopropyl ester (2464-03-1)

Guidance literature:

With sulfur trioxide; In dichloromethane; at -50 ℃;

DOI:10.1246/bcsj.54.3495

Reference yield: 18.0%

triisopropyl phosphite (116-17-6) → diisopropyl sulfate (2973-10-6) + triisopropyl phosphate (513-02-0)

Guidance literature:

With sulfur trioxide; In dichloromethane; at -50 ℃;

DOI:10.1246/bcsj.54.3495

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → monoisopropyl sulfate (6914-90-5) + diisopropyl sulfate (2973-10-6)

Guidance literature:

With sulfuric acid; at 0 - 10 ℃; under 2942.03 - 5148.6 Torr;

upstream raw materials:

propene

sodium isopropylate

isopropyl alcohol

triisopropyl phosphite

Downstream raw materials:

Isopropylbenzene

isopropoxybenzene

ethyl 4-isopropoxy-2-methylcyclohexa-1,3-diene-1-carboxylate

1-isopropyl-cyclohexanol

Refernces

• 1、 -. "NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF". Paragraph 469. . Retrieved 2016/09/15.
• 2、 Ando, Fumio,Koketsu, Jugo,Ishii, Yoshio. "Reactions of Group V Metal Compounds with Sulfur Trioxide". . p. 3495 - 3499. Retrieved 2007/10/02.