Cyclohexyl diphenyl phosphate

Base Information

• Chemical Name: Cyclohexyl diphenyl phosphate
• CAS No.: 4281-67-8
• Molecular Formula: C18H21O4P
• Molecular Weight: 332.336
• European Community (EC) Number: 661-852-2
• DSSTox Substance ID: DTXSID00962710
• Nikkaji Number: J1.734.392K
• Wikidata: Q82944454
• Mol file: 4281-67-8.mol

Synonyms:Cyclohexyl diphenyl phosphate;Cyclohexyl phenyl phosphate;Phosphoric acid, cyclohexyl diphenyl ester;Cyclohexyl phenyl phosphate ((C6H11O)(PhO)2PO);SCHEMBL3472688;DTXSID00962710;AKOS024339481;Phosphoric acid cyclohexyldiphenyl ester;LS-107604

Chemical Property of Cyclohexyl diphenyl phosphate

Chemical Property:

• Vapor Pressure: 1.54E-06mmHg at 25°C
• Boiling Point: 409.4°Cat760mmHg
• Flash Point: 214.9°C
• Density: 1.21g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 332.11774614
• Heavy Atom Count: 23
• Complexity: 359

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion. A mild eye irritant.
• Hazard Codes: Moderately toxic by ingestion. A mild eye irritant.

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

Technology Process of Cyclohexyl diphenyl phosphate

There total 7 articles about Cyclohexyl 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: 100.0%

chlorophosphoric acid diphenyl ester (2524-64-3) + cyclohexanol (108-93-0) → cyclohexyl diphenyl phosphate (4281-67-8)

Guidance literature:

With titanium(IV) tetrabutoxide; triethylamine; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/jo034331g

Reference yield: 95.0%

diphenyl hydrogen phosphate (838-85-7) + cyclohexanol (108-93-0) → cyclohexyl diphenyl phosphate (4281-67-8)

Guidance literature:

With tetrachlorosilane; at 0 ℃;

DOI:10.1016/j.tetlet.2006.02.159

Reference yield: 92.0%

3-(diphenylphosphono)-2-(N-cyanoimino)thiazolidine (449813-82-5) + cyclohexanol (108-93-0) → cyclohexyl diphenyl phosphate (4281-67-8)

Guidance literature:

With tert-butylmagnesium chloride; In tetrahydrofuran; at 20 ℃; for 1h; Further Variations:; Reagents; Reaction partners; reaction times; Product distribution;

DOI:10.1016/S0040-4020(02)00312-5

upstream raw materials:

chlorophosphoric acid diphenyl ester

cyclohexanol

3-(diphenylphosphono)-2-(N-cyanoimino)thiazolidine

(2-oxo-5,5-diphenyl-oxazolidin-3-yl)-phosphonic acid diphenyl ester

Downstream raw materials:

diphenyl hydrogen phosphate

cyclohexene

cyclohexyl dihydrogen phosphate

(cyclohexylmethylene)dibenzene

Refernces

• 1、 Hao, Qingqing,Hong, Qian,Jiao, Lin-Yu,Li, Zhuo,Liu, Shanshan,Ma, Xiao-Xun,Ning, Zi-Hui,Sun, Ming,Xu, Long,Zhang, Ze. "Recyclable copper catalyst on chitosan for facile preparation of alkyl/aryl mixed phosphates via deaminated esterification between diphenylphosphoryl azides and aliphatic alcohols". . . Retrieved 2020/07/15.
• 2、 Shinohara, Riku,Ogawa, Narihito,Kawashima, Hidehisa,Wada, Kyohei,Saito, Shun,Yamazaki, Takashi,Kobayashi, Yuichi. "SN2 Reaction of Diarylmethyl Anions at Secondary Alkyl and Cycloalkyl Carbons". . p. 1461 - 1478. Retrieved 2019/01/25.