Bis(2,4,4-trimethylpentyl)phosphinic acid

Base Information

• Chemical Name: Bis(2,4,4-trimethylpentyl)phosphinic acid
• CAS No.: 83411-71-6
• Deprecated CAS: 105025-70-5,150553-29-0,1197024-67-1
• Molecular Formula: C16H35O2P
• Molecular Weight: 290.426
• Hs Code.: 29319090
• European Community (EC) Number: 280-445-7
• DSSTox Substance ID: DTXSID60868724
• Nikkaji Number: J326.801B
• ChEMBL ID: CHEMBL1476841
• Mol file: 83411-71-6.mol

Synonyms:bis(2,4,4-trimethylpentyl)phosphinic acid;Cyanex 272

Chemical Property of Bis(2,4,4-trimethylpentyl)phosphinic acid

Chemical Property:

• Vapor Pressure: 0.0117mmHg at 25°C
• Refractive Index: 1.502
• Boiling Point: 417.1 °C at 760 mmHg
• PKA: 3.26±0.50(Predicted)
• Flash Point: 206.1 °C
• PSA: 47.11000
• Density: 0.921 g/cm³
• LogP: 5.40140
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 12.5mg/L at 20℃
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 290.23746735
• Heavy Atom Count: 19
• Complexity: 282

Purity/Quality:

98%, ^*data from raw suppliers

Bis(2,4,4-trimethylpentyl)phosphinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 24-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C)(C)C)CP(=O)(CC(C)CC(C)(C)C)O

Technology Process of Bis(2,4,4-trimethylpentyl)phosphinic acid

There total 6 articles about Bis(2,4,4-trimethylpentyl)phosphinic 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: 86.9%

2,4,4-trimethyl-1-pentene (107-39-1) + 2,4,4-trimethylpent-2-ene (107-40-4) → bis(2,4,4-trimethylpentyl)phosphinic acid (83411-71-6) + 2,4,4-trimethyl-1-pentyl hypophosphorous acid (144900-28-7)

Guidance literature:

With sodium hypophosphite hydrate; di-tert-butyl peroxide; acetic acid; at 135 ℃; for 30h;

Reference yield: 83.0%

2,4,4-trimethyl-1-pentene (107-39-1) → bis(2,4,4-trimethylpentyl)phosphinic acid (83411-71-6)

Guidance literature:

With sodium hypophosphite; di-tert-butyl peroxide; acetic acid; In N,N-dimethyl-formamide; at 105 ℃; Microwave irradiation;

DOI:10.1039/c5ra23483b

Reference yield:

t-butylperoxy-2-ethyl hexanate + 2,4-dimethylpentane (108-08-7) → bis(2,4,4-trimethylpentyl)phosphinic acid (83411-71-6)

Guidance literature:

With hypophosphorous acid; hydrazine; at 85 - 110 ℃; for 56h; under 0.2 - 0.4 Torr; Inert atmosphere;

upstream raw materials:

N,N-dimethyl-formamide dimethyl acetal

2,4,4-trimethyl-1-pentene

2,4,4-trimethylpent-2-ene

bis(2,4,4-trimethylpentyl)monothiophosphinic chloride

Downstream raw materials:

(bis-2,4,4-trimethylpentyl)monothiophosphinic acid

Refernces

• 1、 -. "A extractant composition and its preparation method and application". Paragraph 0079; 0080. . Retrieved 2018/11/22.
• 2、 -. "Process for the preparation of highly purified, dialkydithiophosphinic compounds". Page/Page column 6. . Retrieved 2008/06/13.