p-tert-Butylphenyl dihydrogen phosphate

Base Information

• Chemical Name: p-tert-Butylphenyl dihydrogen phosphate
• CAS No.: 13421-39-1
• Molecular Formula: C10H15 O4 P
• Molecular Weight: 230.2
• European Community (EC) Number: 236-530-6
• DSSTox Substance ID: DTXSID80158598
• Nikkaji Number: J317.876E
• Wikidata: Q83026897
• ChEMBL ID: CHEMBL25780
• Mol file: 13421-39-1.mol

Synonyms:p-tert-Butylphenyl dihydrogen phosphate;13421-39-1;(4-tert-butylphenyl) dihydrogen phosphate;CHEMBL25780;EINECS 236-530-6;SCHEMBL284462;4-t-butylphenylphosphoric acid;DTXSID80158598;BDBM50112443;Phosphoric acid 4-tert-butylphenyl ester;Phosphoric acid mono-(4-tert-butyl-phenyl) ester

Chemical Property of p-tert-Butylphenyl dihydrogen phosphate

Chemical Property:

• Vapor Pressure: 4.38E-06mmHg at 25°C
• Boiling Point: 368.6°Cat760mmHg
• Flash Point: 176.7°C
• PSA: 76.57000
• Density: 1.259g/cm³
• LogP: 2.45560
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 230.07079595
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)OP(=O)(O)O

Technology Process of p-tert-Butylphenyl dihydrogen phosphate

There total 3 articles about p-tert-Butylphenyl dihydrogen 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:

4-tert-Butylphenoxy dichlorophosphate (18351-36-5) → p-tert-butylphenyl dihydrogen phosphate (13421-39-1)

Guidance literature:

With acetone;

DOI:10.1039/j39680000815

Reference yield:

para-tert-butylphenol (98-54-4) → p-tert-butylphenyl dihydrogen phosphate (13421-39-1)

Guidance literature:

para-tert-butylphenol; With dmap; t-butylphosphite bound on the Wang resin A; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 23 ℃; for 1h;

With trifluoroacetic acid; In dichloromethane; for 0.5h;

DOI:10.1016/S0960-894X(02)00140-3

Reference yield:

2,6-di-tert-butylphenol (128-39-2) → p-tert-butylphenyl dihydrogen phosphate (13421-39-1)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃, ZnCl₂

2: aq. acetone

With acetone; zinc(II) chloride; trichlorophosphate;

DOI:10.1039/j39680000815

upstream raw materials:

4-tert-Butylphenoxy dichlorophosphate

para-tert-butylphenol

2,6-di-tert-butylphenol

Refernces