Di-tert-butyl phosphate

Base Information

• Chemical Name: Di-tert-butyl phosphate
• CAS No.: 33494-81-4
• Molecular Formula: C8H19 O4 P
• Molecular Weight: 210.21
• Hs Code.: 2919900090
• European Community (EC) Number: 608-874-0
• Mol file: 33494-81-4.mol

Synonyms:ditert-butyl phosphate;Di-tert-butyl phosphate;Phosphoric acid, bis(1,1-dimethylethyl) ester;di-tert-butylphosphate;di tert-butyl phosphate;bis-tert butyl phosphate;YEWZQCDRZRYAEB-UHFFFAOYSA-M;AKOS028108811

Chemical Property of Di-tert-butyl phosphate

Chemical Property:

• Boiling Point: 252.3°Cat760mmHg
• PKA: 1.48±0.50(Predicted)
• Flash Point: 106.4°C
• PSA: 65.57000
• Density: 1.077g/cm³
• LogP: 2.71700
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 209.09427105
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

99.9% ^*data from raw suppliers

Di-tert-butylPhosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OP(=O)([O-])OC(C)(C)C
• Uses: Di-tert-butyl phosphate (dtbp-H) is used with metal acetates in a high-yield synthetic procedure for the preparation of transition metal phosphate cages [M4(μ4-O)(dtbp)6] (M = Co, Zn).

Technology Process of Di-tert-butyl phosphate

There total 10 articles about Di-tert-butyl 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: 98.0%

potassium di-tert-butylphosphate (33494-80-3) → phosphoric acid di-tert-butyl ester (33494-81-4)

Guidance literature:

With hydrogenchloride; In water; at 0 ℃;

Reference yield: 95.0%

di-tert-butyl phosphite (13086-84-5) → phosphoric acid di-tert-butyl ester (33494-81-4)

Guidance literature:

di-tert-butyl phosphite; With potassium permanganate; potassium hydrogencarbonate; In water; at 0 - 60 ℃; for 1.75h;

With hydrogenchloride; In water; at 0 - 5 ℃;

Reference yield: 89.0%

di-tert-butyl phosphite (13086-84-5) → phosphoric acid di-tert-butyl ester (33494-81-4)

Guidance literature:

With potassium permanganate; sodium hydrogencarbonate; In water;

DOI:10.1016/j.bmcl.2014.10.017

upstream raw materials:

di-tert-butyl phosphite

tert-butyl alcohol

di-tert-butyl phosphite

potassium di-tert-butylphosphate

Downstream raw materials:

Phosphoric acid di-tert-butyl ester 2-phenylsulfanyl-ethyl ester

(2R,3R)-3-[4-(4-cyanophenyl)thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-[[[m-di-t-butylphosphonooxymethyl]benzoyloxy]methoxy]butane

di-tert-butyl phosphoric acid tetra-n-butylammonium salt

(4-acetamidophenyl carbonic) (di-tert-butyl phosphoric)anhydride

Refernces

• 1、 -. "A extractant composition and its preparation method and application". Paragraph 0092; 0093. . Retrieved 2018/11/22.
• 2、 -. "NOVEL HYDROSOLUBLE COMPOUNDS DERIVED FROM BENZIMIDAZOLE USED IN TREATING FASCIOLOSIS". Paragraph 0059-0062. . Retrieved 2017/12/15.