2,4-Dimethylglutaric acid

Base Information

• Chemical Name: 2,4-Dimethylglutaric acid
• CAS No.: 2121-67-7
• Molecular Formula: C7H12 O4
• Molecular Weight: 160.17
• Hs Code.: 29171990
• European Community (EC) Number: 218-330-0
• NSC Number: 61980,51706
• DSSTox Substance ID: DTXSID40875693
• Nikkaji Number: J150.048A
• Mol file: 2121-67-7.mol

Synonyms:2,4-dimethylpentanedioic acid;2121-67-7;2,4-Dimethylglutaric acid;Pentanedioic acid, 2,4-dimethyl-;2,4-Dimethyl glutaric acid;NSC61980;2,4-dimethylpentanedioicacid;SCHEMBL443229;VIWYMIDWAOZEAZ-UHFFFAOYSA-;DTXSID40875693;CAA12167;NSC51706;EINECS 218-330-0;AC5543;MFCD00002660;NSC 51706;NSC 61980;NSC-51706;NSC-61980;AKOS024319459;2,4-DIMETHYL-PENTANEDIOIC ACID;SY224672;CS-0308018;FT-0691439;EN300-105196;A918871;Z1255485193

Chemical Property of 2,4-Dimethylglutaric acid

Chemical Property:

• Vapor Pressure: 0.000264mmHg at 25°C
• Melting Point: 104-108 °C
• Refractive Index: 1.4328 (estimate)
• Boiling Point: 300.4°Cat760mmHg
• Flash Point: 149.7°C
• PSA: 74.60000
• Density: 1.194g/cm³
• LogP: 0.81790
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 160.07355886
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

98%min ^*data from raw suppliers

2,4-DIMETHYLGLUTARIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: CC(CC(C)C(=O)O)C(=O)O

Technology Process of 2,4-Dimethylglutaric acid

There total 6 articles about 2,4-Dimethylglutaric 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: 92.0%

2-ethoxycarbonyl-2,4-dimethyl-pentanedioic acid diethyl ester (57197-29-2) → 2,4-dimethylglutaric acid (2121-67-7)

Guidance literature:

With hydrogenchloride; for 24h; Heating;

DOI:10.1021/ol025872f

Reference yield:

dimethyl 2,4-dimethylpentanedioate (2121-68-8) → 2,4-dimethylglutaric acid (2121-67-7)

Guidance literature:

With potassium hydroxide; In ethanol; for 4h; Heating;

DOI:10.1002/chem.200401081

Reference yield:

pentane-2,2,4-tricarboxylic acid-2,2-diethyl ester-4-methyl ester (342806-74-0) → 2,4-dimethylglutaric acid (2121-67-7)

Guidance literature:

With hydrogenchloride; Heating;

upstream raw materials:

pentane-2,2,4-tricarboxylic acid-2,2-diethyl ester-4-methyl ester

2-ethoxycarbonyl-2,4-dimethyl-pentanedioic acid diethyl ester

dimethyl 2,4-dimethylpentanedioate

1,1-diethyl-1-methylmethanetricarboxylic acid

Downstream raw materials:

(3SR,5RS)-N-benzyloxy-3,5-dimethylpiperidine-2,6-dione

(R)-1-[5-[(R)-2-benzyloxymethyl-pyrrolidin-1-yl]-2,4-dimethyl-5-oxo-pentanoyl]-pyrrolidine-2-carboxylic acid benzyl ester

(+)-(2S,4R)-cis-2,4-dimethyl-δ-valerolactone

Refernces

• 1、 Basche, Luis,Jung, Sebastian T.,Luy, Burkhard,Podlech, Joachim,Reinsperger, Tony. "Stereoelectronic Effects: Perlin Effects in Thiane-Derived Compounds". . . Retrieved 2020/04/15.
• 2、 Paquette, Leo A.,Boulet, Serge L.. "Toward a total synthesis of okilactomycin. 1. A direct, enantiocontrolled route to the western sector". . p. 888 - 894. Retrieved 2007/10/03.