Cyclohexyl methylphosphonic acid

Base Information

• Chemical Name: Cyclohexyl methylphosphonic acid
• CAS No.: 1932-60-1
• Molecular Formula: C7H15 O3 P
• Molecular Weight: 178.168
• Hs Code.: 2931900090
• European Community (EC) Number: 631-573-0
• DSSTox Substance ID: DTXSID10172924
• Nikkaji Number: J472.719C
• Mol file: 1932-60-1.mol

Synonyms:cyclohexyl methylphosphonic acid;methylphosphonic acid, monocyclohexyl ester

Chemical Property of Cyclohexyl methylphosphonic acid

Chemical Property:

• Vapor Pressure: 0.00153mmHg at 25°C
• Boiling Point: 274°Cat760mmHg
• Flash Point: 119.5°C
• PSA: 56.34000
• Density: 1.13g/cm³
• LogP: 2.15090
• Storage Temp.: ?20°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 178.07588133
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyclohexyl methylphosphonic acid solution 1000μg/mL in methanol, ampule of 1.2mL, certified reference material ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CP(=O)(O)OC1CCCCC1

Technology Process of Cyclohexyl methylphosphonic acid

There total 16 articles about Cyclohexyl methylphosphonic acid 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: 85.1%

methylphosphonic acid (993-13-5) + cyclohexanol (108-93-0) → methylphosphonic acid monocyclohexyl ester (1932-60-1)

Guidance literature:

With phenylarsonic acid; In toluene; for 40h; Reflux;

DOI:10.2478/s11532-010-0102-3

Reference yield: 46.7%

Methanphosphonsaeure-anhydrid (1932-59-8) + cyclohexanol (108-93-0) → methylphosphonic acid monocyclohexyl ester (1932-60-1)

Guidance literature:

In N,N-dimethyl-formamide; for 0.5h; Heating;

DOI:10.1080/10426509908037007

Reference yield:

cyclohexyl 4-nitrophenyl methylphosphonate (7284-56-2) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + methylphosphonic acid monocyclohexyl ester (1932-60-1)

Guidance literature:

With phosphotriesterase like lactonases from Deinococcus radiodurans; water; cobalt(II) chloride; In methanol; at 30 ℃; pH=9; Reagent/catalyst; Kinetics;

DOI:10.1021/ja405911h

upstream raw materials:

methylphosphonic acid dichloroanhydride

cyclohexanol

Methanphosphonsaeure-anhydrid

GF

Downstream raw materials:

cyclohexyl methyl methylphosphonate

Refernces

• 1、 Meier, Monika M.,Rajendran, Chitra,Malisi, Christoph,Fox, Nicholas G.,Xu, Chengfu,Schlee, Sandra,Barondeau, David P.,Hoecker, Birte,Sterner, Reinhard,Raushel, Frank M.. "Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template". supporting information. p. 11670 - 11677. Retrieved 2013/09/02.
• 2、 Polec, Iwona,Kielczewska, Anna,Konopski, Leszek,Oleksa, Grazyna,Krukowska, Hanna Nowacka,Legocki, Jan. "Alkyl methylphosphonic acids, the degradation products of organophosphorous CWA - preparation and direct quantitative GC-FID analysis". supporting information; experimental part. p. 1251 - 1265. Retrieved 2011/12/15.