Dimethyl propan-2-yl phosphate

Base Information

• Chemical Name: Dimethyl propan-2-yl phosphate
• CAS No.: 58816-56-1
• Molecular Formula: C5H13O4P
• Molecular Weight: 168.13
• DSSTox Substance ID: DTXSID10513691
• Wikidata: Q82373622
• Mol file: 58816-56-1.mol

Synonyms:58816-56-1;Dimethyl propan-2-yl phosphate;SCHEMBL1908562;DTXSID10513691

Chemical Property of Dimethyl propan-2-yl phosphate

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 168.05514589
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OP(=O)(OC)OC

Technology Process of Dimethyl propan-2-yl phosphate

There total 2 articles about Dimethyl propan-2-yl phosphate 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: 66.0%

diphenylisopropylsulfonium tetrafluoroborate + potassium dimethyl phosphate (37919-86-1) → Dimethyl isopropyl phosphate (58816-56-1) + diphenyl sulfide (139-66-2)

Guidance literature:

In dichloromethane; at 20 ℃; for 15h;

DOI:10.1055/s-1982-29784

Reference yield: 8.8%

methanol (67-56-1) + triisopropyl phosphite (116-17-6) → trimethyl phosphite (512-56-1) + [2,2]bipyridinyl (366-18-7) + diisopropyl methyl phosphate (26955-63-5,129149-78-6) + triisopropyl phosphate (513-02-0) + Dimethyl isopropyl phosphate (58816-56-1)

Guidance literature:

With tris(2,2'-bipyridyl)ruthenium dichloride; at 20 ℃; for 7h; Kinetics; Mechanism; Irradiation;

DOI:10.1002/cber.19971301122

Reference yield:

Dimethyl isopropyl phosphate (58816-56-1) + chloral (75-87-6) → O-Isopropyl-O-methyl-O-dichlorvinyl-phosphat (5301-54-2)

Guidance literature:

DOI:10.1021/jm00282a006

upstream raw materials:

potassium dimethyl phosphate

methanol

triisopropyl phosphite

Downstream raw materials:

O-Isopropyl-O-methyl-O-dichlorvinyl-phosphat