Butan-2-yl diethyl phosphate

Base Information

• Chemical Name: Butan-2-yl diethyl phosphate
• CAS No.: 31774-59-1
• Molecular Formula: C8H19 O4 P
• Molecular Weight: 210.21
• NSC Number: 191784
• DSSTox Substance ID: DTXSID60307481
• Nikkaji Number: J2.000.654D
• Mol file: 31774-59-1.mol

Synonyms:butan-2-yl diethyl phosphate;31774-59-1;NSC191784;SCHEMBL5908843;DTXSID60307481;NSC-191784

Chemical Property of Butan-2-yl diethyl phosphate

Chemical Property:

• Vapor Pressure: 0.0987mmHg at 25°C
• Boiling Point: 230.6°Cat760mmHg
• Flash Point: 107.4°C
• Density: 1.029g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 210.10209608
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)OP(=O)(OCC)OCC

Technology Process of Butan-2-yl diethyl phosphate

There total 1 articles about Butan-2-yl diethyl 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:

O,O-diethyl S-methyl phosphorothioate (2404-05-9) + iso-butanol (78-92-2,15892-23-6) → methanesulfonic acid (75-75-2,98527-29-8) + Diethyl phosphate (598-02-7) + sec-butyl methanesulfonate (16156-54-0) + diethyl sec-butyl phosphate (31774-59-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid;

Reference yield: 75.0%

diethyl sec-butyl phosphate (31774-59-1) → ethyl phosphate (1623-14-9)

Guidance literature:

With Amberlite 200C; In benzene; for 48h; Product distribution; Ambient temperature; different reagent, solvent, reaction temperatures and times;

Reference yield: 53.0%

diethyl sec-butyl phosphate (31774-59-1) + toluene-4-sulfonic acid (104-15-4) → 2-tosyloxybutane (715-11-7)

Guidance literature:

at 40 ℃;

upstream raw materials:

O,O-diethyl S-methyl phosphorothioate

iso-butanol

Downstream raw materials:

ethyl phosphate

2-tosyloxybutane

Refernces