3-Ethyl-3-methylglutaric acid

Base Information

• Chemical Name: 3-Ethyl-3-methylglutaric acid
• CAS No.: 5345-01-7
• Molecular Formula: C8H14 O4
• Molecular Weight: 174.197
• Hs Code.: 2917190090
• European Community (EC) Number: 226-294-2
• NSC Number: 2989
• DSSTox Substance ID: DTXSID20201613
• Nikkaji Number: J62.811E
• Mol file: 5345-01-7.mol

Synonyms:3-Ethyl-3-methylglutaric acid;5345-01-7;3-Ethyl-3-methylpentanedioic acid;Ethylmethylglutaricacid;Pentanedioic acid, 3-ethyl-3-methyl-;NSC2989;3-Methyl-3-athylglutarsaure;SCHEMBL1335602;3-ethyl-3-methyl glutaric acid;3-ethyl-3-methyl-glutaric acid;3-Ethyl-3-methylpentanedioicacid;DTXSID20201613;NSC 2989;NSC-2989;EINECS 226-294-2;3-Ethyl-3-methylpentanedioic acid #;MFCD00020494;3-Ethyl-3-methylglutaric acid, 97%;AKOS001139335;.beta.-Methyl-.beta.-ethylglutaric acid;NCGC00336895-01;AS-59843;E0285;FT-0615652;EN300-14671;D86363;AB01329895-02;A829599;Z104442530

Chemical Property of 3-Ethyl-3-methylglutaric acid

Chemical Property:

• Vapor Pressure: 0.000111mmHg at 25°C
• Melting Point: 77-81 °C(lit.)
• Refractive Index: 1.4362 (estimate)
• Boiling Point: 313°Cat760mmHg
• Flash Point: 157.3°C
• PSA: 74.60000
• Density: 1.162g/cm³
• LogP: 1.35210
• Water Solubility.: very faint turbidity in Water
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 174.08920892
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Ethyl-3-methylglutaric Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Ethyl-3-methylglutaric acid

There total 17 articles about 3-Ethyl-3-methylglutaric 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: 95.0%

4-ethyl-4-methyl-3,5-dicyano-2,6-piperidinedione (1135-62-2) → 3-ethyl-3-methylglutaric acid (5345-01-7)

Guidance literature:

With sulfuric acid; water;

DOI:10.1021/jo00347a013

Reference yield:

2-methyl-5-ethyl-5-methylcyclohexane-1,3-dione (1197-86-0) → 3-ethyl-3-methylglutaric acid (5345-01-7)

Guidance literature:

With sodium hydroxide; bromine; at 0 ℃;

Reference yield:

→ 3-ethyl-3-methylglutaric acid (5345-01-7)

Guidance literature:

With sulfuric acid;

DOI:10.1039/jr9340001758

upstream raw materials:

2-methyl-5-ethyl-5-methylcyclohexane-1,3-dione

4-ethyl-4-methyl-3,5-dicyano-2,6-piperidinedione

sulfuric acid

4-ethyl-5-cyano-2-imino-4-methyl-6-oxo-piperidine-3-carboxylic acid amide

Downstream raw materials:

2-methyl-5-ethyl-5-methylcyclohexane-1,3-dione

4-ethyl-4-methylpiperidine

3-ethyl-3-methyl-glutaric acid monomethyl ester

N,β-Dimethyl-β-ethyl-glutarimid

Refernces

• 1、 -. "Bis-esters of dicarboxylic acids with amoxicillin and certain hydroxymethylpenicillanate 1,1-dioxides". . . Retrieved 2008/06/13.