Butyl methylphosphinate

Base Information

• Chemical Name: Butyl methylphosphinate
• CAS No.: 6172-80-1
• Molecular Formula: C5H13O2P
• Molecular Weight: 136.131
• European Community (EC) Number: 612-366-4
• DSSTox Substance ID: DTXSID80446689
• Mol file: 6172-80-1.mol

Synonyms:butyl methylphosphinate;6172-80-1;EC 612-366-4;Phosphinic acid, methyl-, butyl ester;SCHEMBL1711468;DTXSID80446689

Chemical Property of Butyl methylphosphinate

Chemical Property:

• Vapor Pressure: 2.6mmHg at 25°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 135.05749162
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCO[P+](=O)C

Technology Process of Butyl methylphosphinate

There total 1 articles about Butyl methylphosphinate 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:

butyl hypophosphite (18108-09-3) + methyl iodide (74-88-4) → butyl methylphosphinate (6172-80-1) + butan-1-ol (71-36-3)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.tetlet.2012.07.019

Reference yield: 98.6%

2-acetoxy-3-butenenitrile (15667-63-7) + butyl methylphosphinate (6172-80-1) → 3-[n-butoxy(methyl)phosphoryl]-1-cyanopropyl acetate (172529-93-0,167004-78-6)

Guidance literature:

butyl methylphosphinate; at 75 - 80 ℃; for 0.25h; Inert atmosphere;

2-acetoxy-3-butenenitrile; at 75 - 80 ℃; Temperature; Reagent/catalyst;

Reference yield: 94.0%

butyl methylphosphinate (6172-80-1) + methyl N-(4-bromophenyl)carbamate (25203-36-5) → (4-Methoxycarbonylamino-phenyl)-methyl-phosphinic acid butyl ester (95885-66-8)

Guidance literature:

With triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; at 100 ℃; for 2h;

upstream raw materials:

butyl hypophosphite

methyl iodide

Downstream raw materials:

Methylphosphonsaeure-butylester-mercaptobutylester

Methyl-thiophosphonsaeure-O-butylester

(4-Chloro-phenyl)-methyl-phosphinic acid butyl ester

n-butyl methyl-phenylphosphinate

Refernces