2,2,4-Trimethyl-4-phosphonoadipic acid

Base Information

• Chemical Name: 2,2,4-Trimethyl-4-phosphonoadipic acid
• CAS No.: 67492-84-6
• Molecular Formula: C9H17O7P
• Molecular Weight: 268.204
• European Community (EC) Number: 266-703-1
• DSSTox Substance ID: DTXSID60986876
• Nikkaji Number: J310.256D
• Mol file: 67492-84-6.mol

Synonyms:2,2,4-Trimethyl-4-phosphonoadipic acid;67492-84-6;2,2,4-trimethyl-4-phosphonohexanedioic acid;EINECS 266-703-1;SCHEMBL11328474;DTXSID60986876

Chemical Property of 2,2,4-Trimethyl-4-phosphonoadipic acid

Chemical Property:

• Vapor Pressure: 6.73E-13mmHg at 25°C
• Boiling Point: 535.6°Cat760mmHg
• Flash Point: 277.7°C
• PSA: 141.94000
• Density: 1.445g/cm³
• LogP: 0.89840
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 268.07118987
• Heavy Atom Count: 17
• Complexity: 370

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2,2,4-Trimethyl-4-phosphonoadipic acid

There total 2 articles about 2,2,4-Trimethyl-4-phosphonoadipic 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:

3-phosphono-3,5,5-trimethylcyclohexanone (33803-99-5) → 2,4,4-trimethyl-2-phosphonopentanedioic acid (67718-84-7) + 2,2,4-trimethyl-4-phosphonohexanedioic acid (67492-84-6) + 2,4,4-trimethyl-2-phosphonohexanedioic acid (67492-83-5)

Guidance literature:

With nitric acid; ammonium vanadate; In water; at 55 - 60 ℃; for 5h;

Reference yield:

→ 2,2,4-trimethyl-4-phosphonohexanedioic acid (67492-84-6)

Guidance literature:

1,3,3-Trimethyl-5-oxocyclohexan-phosphorige Saeure;

upstream raw materials:

3-phosphono-3,5,5-trimethylcyclohexanone