Bis(2,2-dimethylpropyl) benzylphosphonate

Base Information

• Chemical Name: Bis(2,2-dimethylpropyl) benzylphosphonate
• CAS No.: 88065-75-2
• Molecular Formula: C17H29O3P
• Molecular Weight: 312.389
• DSSTox Substance ID: DTXSID40565128
• Wikidata: Q82450072
• Mol file: 88065-75-2.mol

Synonyms:88065-75-2;Bis(2,2-dimethylpropyl) benzylphosphonate;DTXSID40565128

Chemical Property of Bis(2,2-dimethylpropyl) benzylphosphonate

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 312.18543178
• Heavy Atom Count: 21
• Complexity: 324

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)COP(=O)(CC1=CC=CC=C1)OCC(C)(C)C

Technology Process of Bis(2,2-dimethylpropyl) benzylphosphonate

There total 4 articles about Bis(2,2-dimethylpropyl) benzylphosphonate 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:

benzyltrineopentoxyphosphonium trifluoromethanesulfonate (123750-96-9) → trineopentyl phosphite (14540-52-4) + Benzyl-phosphonic acid bis-(2,2-dimethyl-propyl) ester (88065-75-2) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

With naphthalene anion radical; In tetrahydrofuran; Ambient temperature;

DOI:10.1021/ja00206a058

Reference yield:

2,2-dimethyl-propanol-1 (75-84-3) → Benzyl-phosphonic acid bis-(2,2-dimethyl-propyl) ester (88065-75-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 82 percent / pyridine / petroleum ether / Ambient temperature; several hours

2: 27 percent Spectr_. / MeI / neat (no solvent) / 1080 h / 33 °C

3: neat (no solvent) / 8232 h / 20 - 100 °C

With pyridine; methyl iodide; In Petroleum ether;

DOI:10.1039/P29830001363

Reference yield:

dineopentyl phenyl phosphite (80733-03-5) → Benzyl-phosphonic acid bis-(2,2-dimethyl-propyl) ester (88065-75-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 27 percent Spectr_. / MeI / neat (no solvent) / 1080 h / 33 °C

2: neat (no solvent) / 8232 h / 20 - 100 °C

With methyl iodide; In neat (no solvent);

DOI:10.1039/P29830001363

upstream raw materials:

benzyltrineopentoxyphosphonium trifluoromethanesulfonate

benzyl chloride

neopentyl diphenyl phosphite

2,2-dimethyl-propanol-1