Pentanedioic acid, 2-(1-methylethyl)-

Base Information

• Chemical Name: Pentanedioic acid, 2-(1-methylethyl)-
• CAS No.: 32806-63-6
• Molecular Formula: C8H14O4
• Molecular Weight: 174.197
• DSSTox Substance ID: DTXSID50393191
• Mol file: 32806-63-6.mol

Synonyms:Pentanedioic acid, 2-(1-methylethyl)-;32806-63-6;2-isopropylglutaric acid;SCHEMBL1437835;DTXSID50393191;SYJNLRRPPXHVII-UHFFFAOYSA-N

Chemical Property of Pentanedioic acid, 2-(1-methylethyl)-

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 174.08920892
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pentanedioic acid, 2-(1-methylethyl)-

There total 7 articles about Pentanedioic acid, 2-(1-methylethyl)- 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: 15.0%

piperitone oxide → 2-isopropyl-5-oxohexanoic acid (2543-54-6) + 2-isopropylglutaric acid (32806-63-6) + ethane-1,1-dihydroperoxide (1070799-47-1) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With (1S)-(+)-10-camphorsulfonic acid; dihydrogen peroxide; In diethyl ether; at 20 ℃;

DOI:10.1002/chem.200800932

Reference yield:

(+/-)-6-isopropyl-3-trans-styryl-cyclohex-2-enone (109827-70-5) + acetone (67-64-1) → 2-isopropylglutaric acid (32806-63-6) + benzaldehyde (100-52-7)

Guidance literature:

at 0 ℃;

DOI:10.1039/jr9262902072 DOI:10.1039/jr9360001598

Reference yield:

3-isopropylsuccinic anhydride (49538-78-5) → 2-isopropylglutaric acid (32806-63-6) + 3-isopropylglutaric acid (4165-99-5)

Guidance literature:

With ethanol; sodium; inactive α-isopropyl-glutaric acid; Erhitzen des Reaktionsgemisches von α- und β-Isopropyl-butyrolacton mit Kaliumcyanid und Verseifen des Reaktionsprodukts mit Kalilauge;

upstream raw materials:

3-isopropylsuccinic anhydride

2-isopropyl-5-oxohexanoic acid

piperitone

2-isopropyl-5-methylcyclopentanone