Tri-p-tolyl phosphite

Base Information

• Chemical Name: Tri-p-tolyl phosphite
• CAS No.: 620-42-8
• Molecular Formula: C21H21 O3 P
• Molecular Weight: 352.37
• Hs Code.: 2920901900
• European Community (EC) Number: 210-639-9,247-119-6
• NSC Number: 4054
• UNII: 3YVP05131V
• DSSTox Substance ID: DTXSID1060718
• Nikkaji Number: J53.844B
• Wikidata: Q27258221
• Mol file: 620-42-8.mol

Synonyms:Tri-p-tolyl phosphite;620-42-8;Tri-p-cresyl phosphite;Tris(p-tolyl) phosphite;Phosphorous Acid Tris(4-methylphenyl) Ester;Tris(4-methylphenyl) phosphite;Tris(methylphenyl) phosphite;Tris(p-methylphenyl) phosphite;Tritolyl phosphite;Phosphorous acid, tris(4-methylphenyl) ester;p-Tolyl phosphite ((C7H7O)3P);Phosphorous acid, tri-p-tolyl ester;NSC 4054;EINECS 210-639-9;BRN 0620298;UNII-3YVP05131V;AI3-26996;Phosphorous Acid Tris(4-methylphenyl)Ester;PHOSPHOROUS ACID, TRI-p-CRESYL ESTER;C21H21O3P;3YVP05131V;EINECS 247-119-6;EC 247-119-6;4-06-00-02128 (Beilstein Handbook Reference);trip-tolyl phosphite;tris(p-tolyl)phosphite;tris-p-tolyl phosphite;tris-p-cresyl phosphite;SCHEMBL130635;Tris(methylphenyl) phosphorate;DTXSID1060718;Phosphorous acid, tritolyl ester;NSC4054;Phosphorous Acid Tri-p-tolyl Ester;NSC-4054;Phosphorous Acid Tri-p-cresyl Ester;MFCD00041909;Phosphorous acid tris(4-methylphenyl);LS-109019;CS-0435356;FT-0705990;P1175;PHOSPHOROUSACIDTRIS(4-METHYLPHENYL)ESTER;Q27258221

Chemical Property of Tri-p-tolyl phosphite

Chemical Property:

• Melting Point: 52°C
• Refractive Index: 1.5724-1.5744
• Boiling Point: 238 °C (7 mmHg)
• Flash Point: 93 °C
• PSA: 41.28000
• Density: 1.11
• LogP: 6.37550
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 352.12283153
• Heavy Atom Count: 25
• Complexity: 310

Purity/Quality:

98% ^*data from raw suppliers

Tri-p-tolyl Phosphite ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C

Technology Process of Tri-p-tolyl phosphite

There total 5 articles about Tri-p-tolyl phosphite 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: 92.0%

p-cresol (106-44-5) → tri-p-tolylphosphite (620-42-8)

Guidance literature:

p-cresol; With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

With triethylamine; phosphorus trichloride; In tetrahydrofuran; at 20 ℃; for 20h; Inert atmosphere;

DOI:10.1039/c001660h

Reference yield: 56.0%

p-cresol (106-44-5) + sodium 4-methylphenoxide (1121-70-6) → tri-p-tolylphosphite (620-42-8)

Guidance literature:

With tetrachloromethane; phosphorous; In N,N-dimethyl-formamide;

DOI:10.1007/BF00959903

Reference yield:

p-cresol (106-44-5) + phosphorus trichloride (7719-12-2,52843-90-0) → tri-p-tolylphosphite (620-42-8)

Guidance literature:

upstream raw materials:

p-cresol

sodium 4-methylphenoxide

phosphorus trichloride

Downstream raw materials:

2,2,2-Tris-p-tolyloxy-4,5-bis-trifluoromethyl-2λ⁵-[1,3,2]dioxaphosphole

4'-bromo-7'-methyl-2',2',2'-tris-p-tolyloxy-2',7'-dihydro-2'λ⁵-spiro[fluorene-9,5'-pyrrolo[3,2-e][1,3,2]oxazaphosphinin]-6'-one

4-bromo-7-methyl-5,5-diphenyl-2,2,2-tris-p-tolyloxy-5,7-dihydro-2H-2λ⁵-pyrrolo[3,2-e][1,3,2]oxazaphosphinin-6-one

5,5-dibenzyl-4-bromo-7-methyl-2,2,2-tris-p-tolyloxy-5,7-dihydro-2H-2λ⁵-pyrrolo[3,2-e][1,3,2]oxazaphosphinin-6-one

Refernces

• 1、 Zhang, Yue,Cai, Ziman,Chi, Yangyang,Zeng, Xiangzhe,Chen, Shuanghui,Liu, Yan,Tang, Guo,Zhao, Yufen. "Diphenyl Diselenide-Catalyzed Synthesis of Triaryl Phosphites and Triaryl Phosphates from White Phosphorus". supporting information. p. 5158 - 5163. Retrieved 2021/07/20.
• 2、 García-Domínguez, Andrés,Gonzalez, Jorge A.,Leach, Andrew G.,Lloyd-Jones, Guy C.,Nichol, Gary S.,Taylor, Nicholas P.. "A Lewis Base Nucleofugality Parameter, NFB, and Its Application in an Analysis of MIDA-Boronate Hydrolysis Kinetics". supporting information. . Retrieved 2022/01/04.