2-Isopropylsuccinic acid

Base Information

• Chemical Name: 2-Isopropylsuccinic acid
• CAS No.: 2338-45-6
• Molecular Formula: C7H12 O4
• Molecular Weight: 160.17
• Hs Code.: 2917190090
• European Community (EC) Number: 850-123-6
• NSC Number: 19884
• DSSTox Substance ID: DTXSID30281047
• Nikkaji Number: J1.366.968F
• Mol file: 2338-45-6.mol

Synonyms:2-ISOPROPYLSUCCINIC ACID;2338-45-6;2-propan-2-ylbutanedioic acid;2-(propan-2-yl)butanedioic acid;Butanedioic acid, 2-(1-methylethyl)-;NSC19884;Isopropylbernsteinsaure;Succinic acid, isopropyl-;SCHEMBL554957;DTXSID30281047;CAA33845;NSC-19884;AKOS006276602;EN300-1855524

Chemical Property of 2-Isopropylsuccinic acid

Chemical Property:

• Vapor Pressure: 0.00431mmHg at 25°C
• Boiling Point: 257.8°Cat760mmHg
• Flash Point: 124°C
• PSA: 74.60000
• Density: 1.194g/cm³
• LogP: 0.81790
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 160.07355886
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Isopropylsuccinic acid

There total 4 articles about 2-Isopropylsuccinic 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:

4-isopropyl-1-methyl-cyclopentene (90769-70-3) → 2-isopropylsuccinic acid (2338-45-6) + 3-isopropylglutaric acid (4165-99-5)

Guidance literature:

Reference yield:

(+/-)-3-acetyl-4-methyl-valeric acid (873410-26-5) → 2-isopropylsuccinic acid (2338-45-6) + Bromoform (75-25-2)

Guidance literature:

Oxydation;

Reference yield:

carvotanacetone (43205-82-9) → 2-isopropylsuccinic acid (2338-45-6) + 2-oxo-propionic acid (127-17-3)

Guidance literature:

at 0 ℃; dl-carvotanacetone;

upstream raw materials:

dihydro-5,5-dimethyl-2(3H)-furanone

potassium cyanide

(+/-)-3-acetyl-4-methyl-valeric acid

carvotanacetone

Downstream raw materials:

terebic acid

2-methyl-5-oxo-tetrahydro-furan-2,3-dicarboxylic acid

3-isopropyl-N-[(trans-styrylsulfonyl)oxy]succinimide

3-isopropyl-N-hydroxysuccinimide