Tert-butyl maleic acid

Base Information

• Chemical Name: Tert-butyl maleic acid
• CAS No.: 18305-61-8
• Molecular Formula: C8H12O4
• Molecular Weight: 172.181
• DSSTox Substance ID: DTXSID2021521
• Nikkaji Number: J2.006.404H
• Wikidata: Q81983783
• Mol file: 18305-61-8.mol

Synonyms:tert-butyl maleic acid;2-t-butylmaleic acid;2-tert-Butylmaleic acid;SCHEMBL1965967;SCHEMBL3630555;DTXSID2021521;(2Z)-2-tert-butylbut-2-enedioic acid

Chemical Property of Tert-butyl maleic acid

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 172.07355886
• Heavy Atom Count: 12
• Complexity: 232

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Tert-butyl maleic acid

There total 2 articles about Tert-butyl maleic 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: 17.0%

3,3-Dimethylbut-1-yne (917-92-0) + carbon monoxide (201230-82-2) → (Z)-2-tert-butylbut-2-enedioic acid (18305-61-8)

Guidance literature:

With air; potassium iodide; palladium(II) iodide; In 1,2-dimethoxyethane; water; at 80 ℃; for 8h;

DOI:10.1002/ejoc.200210706

Reference yield:

3-tert-butylfuran-2,5-dione (18261-07-9) → (Z)-2-tert-butylbut-2-enedioic acid (18305-61-8)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

3-tert-butylfuran-2,5-dione

3,3-Dimethylbut-1-yne

carbon monoxide

Refernces