1,1,4,4-Butanetetracarboxylic acid

Base Information

• Chemical Name: 1,1,4,4-Butanetetracarboxylic acid
• CAS No.: 4435-38-5
• Molecular Formula: C8H10O8
• Molecular Weight: 234.163
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID10196145
• Nikkaji Number: J123.823J
• Wikidata: Q83069232
• Mol file: 4435-38-5.mol

Synonyms:1,1,4,4-BTCA;1,1,4,4-butanetetracarboxylic acid

Chemical Property of 1,1,4,4-Butanetetracarboxylic acid

Chemical Property:

• Vapor Pressure: 6.91E-13mmHg at 25°C
• Boiling Point: 535.4°Cat760mmHg
• Flash Point: 291.7°C
• PSA: 149.20000
• Density: 1.674g/cm³
• LogP: -0.66260
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 234.03756727
• Heavy Atom Count: 16
• Complexity: 260

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1,1,4,4-Butanetetracarboxylic acid

There total 3 articles about 1,1,4,4-Butanetetracarboxylic 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:

sodium diethylmalonate (996-82-7) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → butane-1,1,4,4-tetracarboxylic acid (4435-38-5) + diethyl cyclopropane-1,1-dicarboxylate (1559-02-0)

Guidance literature:

entsteht der Tetraaethylester; man isoliert den Ester durch fraktionierte Destillation im Vakuum;

Reference yield:

butane-1,1,4,4-tetracarboxylic acid tetraethyl ester (4450-43-5) → butane-1,1,4,4-tetracarboxylic acid (4435-38-5)

Guidance literature:

With potassium hydroxide; entsteht der Tetraaethylester; man isoliert den Ester durch fraktionierte Destillation im Vakuum, verseift ihn mit alkoholische Kalilauge, faellt mit Bleizucker und zerlegt das Bleisalz mit Schwefelwasserstoff;

Reference yield:

diethyl cyclopropane-1,1-dicarboxylate (1559-02-0) + diethyl malonate (105-53-3) → butane-1,1,4,4-tetracarboxylic acid (4435-38-5)

Guidance literature:

With sodium ethanolate; entsteht der Tetraaethylester;

upstream raw materials:

butane-1,1,4,4-tetracarboxylic acid tetraethyl ester

sodium diethylmalonate

1,2-dichloro-ethane

diethyl cyclopropane-1,1-dicarboxylate

Downstream raw materials:

cyclopentanone

Adipic acid

carbon dioxide

Butan-1.1.4.4-tetracarbonsaeure-tetraphenylester