Bis(4-tert-butylphenyl) hydrogen phosphate

Base Information

• Chemical Name: Bis(4-tert-butylphenyl) hydrogen phosphate
• CAS No.: 21150-89-0
• Molecular Formula: C20H27O4P
• Molecular Weight: 362.406
• European Community (EC) Number: 244-245-3
• DSSTox Substance ID: DTXSID3066683
• Nikkaji Number: J32.762J
• Wikidata: Q81993256
• Mol file: 21150-89-0.mol

Synonyms:bis(tert-butylphenyl) phosphate;bis-BPP

Chemical Property of Bis(4-tert-butylphenyl) hydrogen phosphate

Chemical Property:

• Vapor Pressure: 3.75E-09mmHg at 25°C
• Boiling Point: 457.2°Cat760mmHg
• Flash Point: 230.3°C
• PSA: 65.57000
• Density: 1.131g/cm³
• LogP: 5.83980
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 362.16469634
• Heavy Atom Count: 25
• Complexity: 421

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)OP(=O)(O)OC2=CC=C(C=C2)C(C)(C)C

Technology Process of Bis(4-tert-butylphenyl) hydrogen phosphate

There total 3 articles about Bis(4-tert-butylphenyl) hydrogen 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:

chlorophosphoric acid bis-(4-tert-butyl-phenyl ester) (38135-31-8) → bis(4-tert-butylphenyl)phosphoric acid (21150-89-0)

Guidance literature:

With water; In acetone; for 1h; Reflux;

DOI:10.1016/j.apcata.2014.04.007

Reference yield:

para-tert-butylphenol (98-54-4) → bis(4-tert-butylphenyl)phosphoric acid (21150-89-0)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate; pyridine / benzene / 5 h / Reflux

2: water / acetone / 1 h / Reflux

With pyridine; water; trichlorophosphate; In acetone; benzene;

DOI:10.1016/j.apcata.2014.04.007

Reference yield:

→ bis(4-tert-butylphenyl)phosphoric acid (21150-89-0)

Guidance literature:

<(p-t-Bu)-C6H4-O-P(O)O>2, (p-t-Bu)-C6H4OH;

upstream raw materials:

chlorophosphoric acid bis-(4-tert-butyl-phenyl ester)

para-tert-butylphenol

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