Trimethyl propane-1,2,2-tricarboxylate

Base Information

• Chemical Name: Trimethyl propane-1,2,2-tricarboxylate
• CAS No.: 39994-40-6
• Molecular Formula: C₉H₁₄O₆
• Molecular Weight: 218.207
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID90511150
• Wikidata: Q82369793
• Mol file: 39994-40-6.mol

Synonyms:Trimethyl propane-1,2,2-tricarboxylate;39994-40-6;trimethyl 1-methylethane-1,1,2-tricarboxylate;DTXSID90511150;2-METHOXYCARBONYL-2-METHYL-SUCCINIC ACID DIMETHYL ESTER;AC6070;MFCD09033655;AKOS015967715;trimethyl 1,2,2-propanetricarboxylate;Trimethylpropane-1,2,2-tricarboxylate;SY129397;CS-0452130;FT-0646184;A924431

Chemical Property of Trimethyl propane-1,2,2-tricarboxylate

Chemical Property:

• Vapor Pressure: 0.0126mmHg at 25°C
• Refractive Index: 1.435
• Boiling Point: 259.9°C at 760 mmHg
• Flash Point: 107.7°C
• PSA: 78.90000
• Density: 1.163g/cm³
• LogP: -0.09820
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 218.07903816
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

98%min ^*data from raw suppliers

Trimethylpropane-1,2,2-tricarboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Trimethyl propane-1,2,2-tricarboxylate

There total 5 articles about Trimethyl propane-1,2,2-tricarboxylate 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:

trimethyl ethane-1,1,2-tricarboxylate (40967-67-7) + methyl iodide (74-88-4) → trimethyl 1,2,2-propanetricarboxylate (39994-40-6)

Guidance literature:

trimethyl ethane-1,1,2-tricarboxylate; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 0.5h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b01556

Reference yield:

trimethyl ethane-1,1,2-tricarboxylate (40967-67-7) → trimethyl 1,2,2-propanetricarboxylate (39994-40-6)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; Ambient temperature;

DOI:10.1021/jo00153a032

Reference yield:

methanol (67-56-1) + 2-cyano-2-methyl-succinic acid diethyl ester (52808-16-9) → trimethyl 1,2,2-propanetricarboxylate (39994-40-6)

Guidance literature:

With hydrogenchloride; at 70 - 80 ℃;

upstream raw materials:

methanol

2-cyano-2-methyl-succinic acid diethyl ester

diazomethane

propane-1,2,2-tricarboxylic acid

Refernces

• 1、 Alexander, Juliana R.,Ott, Amy A.,Liu, En-Chih,Topczewski, Joseph J.. "Kinetic Resolution of Cyclic Secondary Azides, Using an Enantioselective Copper-Catalyzed Azide-Alkyne Cycloaddition". supporting information. p. 4355 - 4358. Retrieved 2019/06/14.