(Diisopropoxyphosphoryl)methyl 4-methylbenzenesulfonate

Base Information

• Chemical Name: (Diisopropoxyphosphoryl)methyl 4-methylbenzenesulfonate
• CAS No.: 35717-98-7
• Molecular Formula: C14H23 O6 P S
• Molecular Weight: 350.373
• Hs Code.: 2931900090
• European Community (EC) Number: 682-112-5
• DSSTox Substance ID: DTXSID90447465
• Wikidata: Q72467367
• Mol file: 35717-98-7.mol

Synonyms:35717-98-7;(diisopropoxyphosphoryl)methyl 4-methylbenzenesulfonate;di(propan-2-yloxy)phosphorylmethyl 4-methylbenzenesulfonate;(Diisopropoxyphosphoryl)methyl4-methylbenzenesulfonate;bis(propan-2-yl) [(4-methylbenzenesulfonyl)oxy]methanephosphonate;SCHEMBL259736;DTXSID90447465;ZAAQMNVHSKISRP-UHFFFAOYSA-N;diisopropyl tosyloxymethylphosphonate;AKOS000122752;CS-0248097;EN300-39109;diisopropyl p-toluenesulfonyloxymethylphosphonate;diisopropyl p-toluensulphonyloxymethylphosphonate;toluene-4-sulfonic acid diisopropoxy-phosphorylmethyl ester;bis(propan-2-yl) {[(4-methylbenzene)sulfonyl]oxy}methanephosphonate

Chemical Property of (Diisopropoxyphosphoryl)methyl 4-methylbenzenesulfonate

Chemical Property:

• Boiling Point: 454.3±28.0 °C(Predicted)
• PSA: 97.09000
• Density: 1.206
• LogP: 4.78170
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 350.09529662
• Heavy Atom Count: 22
• Complexity: 460

Purity/Quality:

97% ^*data from raw suppliers

(Diisopropoxyphosphoryl)methyl4-methylbenzenesulfonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCP(=O)(OC(C)C)OC(C)C

Technology Process of (Diisopropoxyphosphoryl)methyl 4-methylbenzenesulfonate

There total 4 articles about (Diisopropoxyphosphoryl)methyl 4-methylbenzenesulfonate 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: 94.0%

diisopropyl hydroxymethylphosphonate (24630-68-0) + p-toluenesulfonyl chloride (98-59-9) → bis(2-propyl)-p-toluenesulfonyloxymethylphosphonate (35717-98-7)

Guidance literature:

With triethylamine; In dichloromethane; a) 10 deg C, 1 h, b) room temperature, 3 h;

Reference yield:

petroleum + triethylammonium hydrogen Carbonate + diisopropyl phosphite (691-96-3) + p-toluenesulfonyl chloride (98-59-9) → bis(2-propyl)-p-toluenesulfonyloxymethylphosphonate (35717-98-7)

Guidance literature:

With dmap; triethylamine; paraformaldehyde; In chloroform; acetonitrile; benzene;

Reference yield:

diisopropyl phosphite (691-96-3) → bis(2-propyl)-p-toluenesulfonyloxymethylphosphonate (35717-98-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / Et₃N / 3 h / 125 - 130 °C

2: 56 percent / Et₃N / diethyl ether / 18 h / Ambient temperature

With triethylamine; In diethyl ether;

DOI:10.1021/jm00074a029

upstream raw materials:

diisopropyl hydroxymethylphosphonate

p-toluenesulfonyl chloride

diisopropyl phosphite

diisopropyl hydrogenphosphonate

Downstream raw materials:

diisopropyl (cyanomethyl)phosphonate

diisopropyl (iodomethyl)phosphonate

bis(2-propyl) N⁶-benzoyl-9-(S)-(3-hydroxy-2-phosphonomethoxypropyl)adenine

(S)-9-(3-hydroxy-2-phosphonylmethoxypropyl)adenine