Isopropylphenyl diphenyl phosphate

Base Information

• Chemical Name: Isopropylphenyl diphenyl phosphate
• CAS No.: 64532-94-1
• Deprecated CAS: 359793-44-5
• Molecular Formula: C21H21 O4 P
• Molecular Weight: 368.369
• European Community (EC) Number: 248-848-2
• UNII: 8W6EIH93ZY
• DSSTox Substance ID: DTXSID90858794
• Nikkaji Number: J560.504K
• Wikidata: Q27271111
• Mol file: 64532-94-1.mol

Synonyms:ISOPROPYLPHENYL DIPHENYL PHOSPHATE;64532-94-1;2-Isopropylphenyl diphenyl phosphate;28108-99-8;o-Isopropylphenyl diphenyl phosphate;Diphenyl o-isopropylphenylphenyl phosphate;diphenyl (2-propan-2-ylphenyl) phosphate;Phosphoric acid, 2-(1-methylethyl)phenyl diphenyl ester;BRN 2224940;8W6EIH93ZY;Phosphoric acid, (1-methylethyl)phenyl diphenyl ester;93925-53-2;Syn-O-Ad 8480;SCHEMBL222391;isopropylphenyldiphenyl phosphate;DTXSID90858794;MFCD00870203;2-Isopropylphenyl diphenyl phosphate #;LS-107854;FT-0670538;I11072;ISOPROPYLPHENYL DIPHENYL PHOSPHATE [HSDB];Phosphoric acid diphenyl 2-isopropylphenyl ester;Q27271111

Chemical Property of Isopropylphenyl diphenyl phosphate

Chemical Property:

• Vapor Pressure: 1.35E-10mmHg at 25°C
• Boiling Point: 424.2°Cat760mmHg
• Flash Point: 223.7°C
• PSA: 54.57000
• Density: 1.196g/cm³
• LogP: 6.45490
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 368.11774614
• Heavy Atom Count: 26
• Complexity: 431

Purity/Quality:

99% ^*data from raw suppliers

2-IsopropylphenylDiphenylPhosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CC(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
• Uses: 2-Isopropylphenyl Diphenyl Phosphate is a triaryl phosphate used as plasticizers in polyvinyl chloride (PVC) as well as a flame retardant. Studies show that Bis(2-isopropylphenyl) Phenyl Phosphate inhibits the human androgen receptor.

Technology Process of Isopropylphenyl diphenyl phosphate

There total 4 articles about Isopropylphenyl diphenyl 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:

2-(1-methylethyl)phenol (88-69-7) + 2,4-diisopropylphenol (2934-05-6) + 2,6-diisopropylphenol (2078-54-8) + 2,4,6-triisopropylphenol (2934-07-8) + 3-isopropylhydroxybenzene (618-45-1) + phenol (108-95-2,27073-41-2) → isopropyl diphenyl phosphate (64532-94-1) + diphenyl-p-isopropylphenyl phosphate (55864-04-5) + 3-isopropylphenyl diphenyl phosphate

Guidance literature:

2-(1-methylethyl)phenol; 2,4-diisopropylphenol; 2,6-diisopropylphenol; 2,4,6-triisopropylphenol; 3-isopropylhydroxybenzene; phenol; With tetrabutylammomium bromide; trichlorophosphate; at 114 ℃;

With magnesium chloride; at 110 - 130 ℃; for 9h; Product distribution / selectivity; Inert atmosphere;

Reference yield:

2-(1-methylethyl)phenol (88-69-7) + 2,4-diisopropylphenol (2934-05-6) + 2,6-diisopropylphenol (2078-54-8) + 2,4,6-triisopropylphenol (2934-07-8) + 3-isopropylhydroxybenzene (618-45-1) + phenol (108-95-2,27073-41-2) → 2,4-diisopropylphenyl diphenyl phosphate (96107-55-0) + isopropyl diphenyl phosphate (64532-94-1) + diphenyl-p-isopropylphenyl phosphate (55864-04-5) + 3-isopropylphenyl diphenyl phosphate

Guidance literature:

2-(1-methylethyl)phenol; 2,4-diisopropylphenol; 2,6-diisopropylphenol; 2,4,6-triisopropylphenol; 3-isopropylhydroxybenzene; phenol; With tetrabutylammomium bromide; trichlorophosphate; at 114 - 135 ℃;

With magnesium chloride; at 110 - 135 ℃; for 3h; Product distribution / selectivity;

Reference yield:

2-(1-methylethyl)phenol (88-69-7) + chlorophosphoric acid diphenyl ester (2524-64-3) → isopropyl diphenyl phosphate (64532-94-1)

Guidance literature:

DOI:10.1016/j.bcp.2003.08.037

upstream raw materials:

2-(1-methylethyl)phenol

chlorophosphoric acid diphenyl ester

2,4-diisopropylphenol

2,6-diisopropylphenol

Refernces

• 1、 Honkakoski, Paavo,Palvimo, Jorma J.,Penttilae, Leena,Vepsaelaeinen, Jouko,Auriola, Seppo. "Effects of triaryl phosphates on mouse and human nuclear receptors". . p. 97 - 106. Retrieved 2007/10/03.