Diphenyl p-isopropylphenyl phosphate

Base Information

• Chemical Name: Diphenyl p-isopropylphenyl phosphate
• CAS No.: 55864-04-5
• Molecular Formula: C21H21O4P
• Molecular Weight: 368.369
• Hs Code.: 2919900090
• DSSTox Substance ID: DTXSID2073560
• Nikkaji Number: J560.506G
• Wikidata: Q82001991
• Mol file: 55864-04-5.mol

Synonyms:55864-04-5;Diphenyl p-isopropylphenyl phosphate;diphenyl (4-propan-2-ylphenyl) phosphate;4-ISOPROPYLPHENYL DIPHENYL PHOSPHATE;(4-isopropylphenyl) diphenyl phosphate;p-Isopropylphenyl diphenyl phosphate;p-Cumenyl phenyl phosphate;BRN 2478291;Phosphoric acid, 4-(1-methylethyl)phenyl diphenyl ester;diphenyl 4-(propan-2-yl)phenyl phosphate;p-Cumenyl phenyl phosphate (7CI);SCHEMBL222392;DTXSID2073560;Diphenyl 4-isopropylphenyl phosphate;4-isopropyl phenyl diphenyl phosphate;BBL102936;MFCD00377267;STL556745;AKOS017343097;LS-107855;Phosphoric acid 4-isopropylphenyldiphenyl ester;phosphoric acid 4-isopropyl-phenyl ester diphenyl ester

Chemical Property of Diphenyl p-isopropylphenyl phosphate

Chemical Property:

• Vapor Pressure: 5.94E-07mmHg at 25°C
• Boiling Point: 422.4°Cat760mmHg
• Flash Point: 222.7°C
• PSA: 54.57000
• Density: 1.196g/cm³
• LogP: 6.45490
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 368.11774614
• Heavy Atom Count: 26
• Complexity: 423

Purity/Quality:

99% ^*data from raw suppliers

4-IsopropylphenylDiphenylPhosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

Technology Process of Diphenyl p-isopropylphenyl phosphate

There total 8 articles about Diphenyl p-isopropylphenyl 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: 87.0%

4-Isopropylphenol (99-89-8) + chlorophosphoric acid diphenyl ester (2524-64-3) → diphenyl-p-isopropylphenyl phosphate (55864-04-5)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In toluene; Reflux;

DOI:10.3762/BJOC.16.250

Reference yield:

4-Isopropylphenol (99-89-8) + 3-isopropylhydroxybenzene (618-45-1) + phenol (108-95-2,27073-41-2) → phosphoric acid triphenyl ester (115-86-6) + diphenyl-p-isopropylphenyl phosphate (55864-04-5) + 3-isopropylphenyl diphenyl phosphate

Guidance literature:

With trichlorophosphate; magnesium chloride; at 130 - 230 ℃; for 2h;

Reference yield:

phenol (108-95-2,27073-41-2) → phosphoric acid triphenyl ester (115-86-6) + diphenyl-p-isopropylphenyl phosphate (55864-04-5) + 3-isopropylphenyl diphenyl phosphate

Guidance literature:

Multi-step reaction with 2 steps

1: Amberlyst_.(R). 15 / 110 - 118 °C / 2311.54 - 4897.34 Torr / Autoclave; Inert atmosphere

2: trichlorophosphate / magnesium chloride / 2 h / 130 - 230 °C

With trichlorophosphate; magnesium chloride;

upstream raw materials:

4-Isopropylphenol

chlorophosphoric acid diphenyl ester

2-(1-methylethyl)phenol

2,4-diisopropylphenol

Downstream raw materials:

4-isopropylbiphenyl

Refernces

• 1、 -. "Low Triphenylphosphate, High Phosphorous Content Isopropyl Phenyl Phosphates With High Ortho Alkylation". Page/Page column 10. . Retrieved 2012/01/14.