Tris(2-carboxyethyl)phosphine

Base Information

• Chemical Name: Tris(2-carboxyethyl)phosphine
• CAS No.: 5961-85-3
• Molecular Formula: C9H15O6P
• Molecular Weight: 250.188
• UNII: 22OAC2MO2S
• DSSTox Substance ID: DTXSID90208290
• Nikkaji Number: J402.328E
• Wikipedia: TCEP
• Wikidata: Q300902
• NCI Thesaurus Code: C161900
• Metabolomics Workbench ID: 62680
• ChEMBL ID: CHEMBL171512
• Mol file: 5961-85-3.mol

Synonyms:TCEP;tris(2-carboxyethyl)phosphine

Chemical Property of Tris(2-carboxyethyl)phosphine

Chemical Property:

• Boiling Point: 519.4 °C at 760 mmHg
• PKA: 4.05±0.10(Predicted)
• Flash Point: 267.9 °C
• PSA: 125.49000
• LogP: 0.89240
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 250.06062519
• Heavy Atom Count: 16
• Complexity: 222

Purity/Quality:

99%, ^*data from raw suppliers

tris(2-Carboxyethyl)phosphine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tris(2-carboxyethyl)phosphine

There total 3 articles about Tris(2-carboxyethyl)phosphine 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:

tris(2-cyanoethyl)phosphine (4023-53-4) → tris(2-carboxyethyl)phosphine (5961-85-3)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01514a022

Reference yield:

acrylonitrile (107-13-1,25014-41-9) → tris(2-carboxyethyl)phosphine (5961-85-3)

Guidance literature:

Multistep reaction; (i) PH₃, (ii) (alkaline hydrolysis);

Reference yield:

→ tris(2-carboxyethyl)phosphine (5961-85-3)

Guidance literature:

P(CH2CH2CN)2, H2O, Cationit KU-2;

upstream raw materials:

tris(2-cyanoethyl)phosphine

acrylonitrile

Refernces