Dimethyl cyclohexylphosphonate

Base Information

• Chemical Name: Dimethyl cyclohexylphosphonate
• CAS No.: 1641-61-8
• Molecular Formula: C8H17 O3 P
• Molecular Weight: 192.195
• Hs Code.: 2931900090
• European Community (EC) Number: 681-341-8
• DSSTox Substance ID: DTXSID90503575
• Nikkaji Number: J3.375.437J
• Wikidata: Q72469681
• Mol file: 1641-61-8.mol

Synonyms:Dimethyl cyclohexylphosphonate;1641-61-8;dimethoxyphosphorylcyclohexane;Phosphonic acid, P-cyclohexyl-, dimethyl ester;Dimethylcyclohexylphosphonate;SCHEMBL575144;DTXSID90503575;FT-0633728;Phosphonic acid,p-cyclohexyl-,dimethyl ester

Chemical Property of Dimethyl cyclohexylphosphonate

Chemical Property:

• Vapor Pressure: 0.02mmHg at 25°C
• Boiling Point: 247 °C at 760 mmHg
• Flash Point: 117.3 °C
• PSA: 45.34000
• Density: 1.15 g/cm³
• LogP: 2.80500
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 192.09153140
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

98%Min ^*data from raw suppliers

DIMETHYL CYCLOHEXYLPHOSPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(C1CCCCC1)OC

Technology Process of Dimethyl cyclohexylphosphonate

There total 14 articles about Dimethyl cyclohexylphosphonate 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: 95.0%

dimethyl phenylphosphonate (2240-41-7) → cyclohexyl dimethylphosphonate (1641-61-8)

Guidance literature:

With tetrahydroxydiboron; [Rh(OH)(cod)]2; In ethanol; at 50 ℃; for 18h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.1c00341

Reference yield: 86.0%

Dimethyl phosphite (868-85-9) + cyclohexene (110-83-8) → cyclohexyl dimethylphosphonate (1641-61-8)

Guidance literature:

With 2,2-dimethoxy-2-phenylacetophenone; for 0.5h; UV-irradiation;

DOI:10.1039/c6nj00123h

Reference yield:

cyclohexane-1,1-dithiol (3855-24-1) → cyclohexyl dimethylphosphonate (1641-61-8)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 20 h / Heating

2: Raney-Ni, EtOH

With ethanol; nickel; In toluene;

DOI:10.1021/jo00404a029

upstream raw materials:

sodium methylate

cyclohexylphosphonic dichloride

(1-Methylsulfanyl-cyclohexyl)-phosphonic acid dimethyl ester

C₁₅H₂₅N₂O₅PS

Downstream raw materials:

dimethyl 1-hydroxycyclohexylphosphonate

Cyclohexylphosphonsaeure-monomethylester

Refernces

• 1、 Cherkasov, Rafael A.,Kuramshin, Arcady I.,Kuramshina, Helen S.. "The phosphorylation of alkenes promoted with the VIB group metals' carbonyl complexes". . p. 1989 - 1989. Retrieved 2002.
• 2、 Wang, Yuhan,Chang, Zhiqian,Hu, Yan,Lin, Xiao,Dou, Xiaowei. "Mild and Selective Rhodium-Catalyzed Transfer Hydrogenation of Functionalized Arenes". supporting information. p. 1910 - 1914. Retrieved 2021/03/08.