2-Butylbutanedioic acid

Base Information

• Chemical Name: 2-Butylbutanedioic acid
• CAS No.: 1457-39-2
• Molecular Formula: C8H14 O4
• Molecular Weight: 174.197
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID30388742
• Nikkaji Number: J1.366.969D
• Mol file: 1457-39-2.mol

Synonyms:2-butylbutanedioic acid;1457-39-2;2-BUTYLSUCCINIC ACID;Butanedioic acid, 2-butyl-;n-butylsuccinic acid;butylsuccinic acid;SCHEMBL306773;DTXSID30388742;WOPLHDNLGYOSPG-UHFFFAOYSA-N;BAA45739;AKOS006271683;AS-58658;CS-0344317;D92887;EN300-1848711

Chemical Property of 2-Butylbutanedioic acid

Chemical Property:

• Melting Point: 81 °C
• Boiling Point: 281.3±13.0 °C(Predicted)
• PKA: 4.56±0.19(Predicted)
• PSA: 74.60000
• Density: 1.159±0.06 g/cm3(Predicted)
• LogP: 1.35210
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 174.08920892
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

≥99.0% ^*data from raw suppliers

2-BUTYLSUCCINIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Butylbutanedioic acid

There total 27 articles about 2-Butylbutanedioic 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: 83.0%

3-(tert-butoxycarbonyl)heptanoic acid (308349-48-6) → n-butylsuccinic acid (1457-39-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1055/s-2000-7110

Reference yield: 58.0%

5-hydroxy-4-butyl-4,5-dihydro-3H-furan-2-one (135386-87-7) → n-butylsuccinic acid (1457-39-2)

Guidance literature:

With sodium dichromate;

Reference yield:

hexane-1,2,2-tricarboxylic acid → n-butylsuccinic acid (1457-39-2) + hexanoic acid (142-62-1)

Guidance literature:

at 160 ℃;

upstream raw materials:

n-butylfumaric acid

(+/-)-but-2t-enyl-succinic acid

4-methyl-3,5-dioxo-cyclohexanecarboxylic acid

n-butyl magnesium bromide

Downstream raw materials:

2-Butyl-bernsteinsaeure-dibutylester

3-butylthiophene

dimethyl 2-butylsuccinate

3-butyldihydrofuran-2,5-dione

Refernces

• 1、 Bessmertnykh, A. G.,Donskaya, N. A.. "STERICALLY SCREENED HALOGENOCYCLOBUTANONES VI. SYNTHESIS OF 3-FORMYLPROPIONIC ACIDS FROM DICHLOROCYCLOBUTANONES". . p. 279 - 284. Retrieved 2007/10/02.
• 2、 Petragnani, Nicola,Yonashiro, Massami. "The Reaction of Lithium α-Lithiocarboxylates (Dianions of Carboxylic Acids) or α-Lithiocarboxylic Esters (Ester Enolates) with α-Halocarboxylic Esters or Lithium α-Halocarboxylates". . p. 710 - 713. Retrieved 2007/10/02.