Dimethyl 2,2-dimethylpentanedioate

Base Information

• Chemical Name: Dimethyl 2,2-dimethylpentanedioate
• CAS No.: 13051-32-6
• Molecular Formula: C9H16 O4
• Molecular Weight: 188.224
• Hs Code.: 2917190090
• European Community (EC) Number: 235-928-7
• DSSTox Substance ID: DTXSID50156581
• Nikkaji Number: J635A
• Wikidata: Q83024672
• Mol file: 13051-32-6.mol

Synonyms:Dimethyl 2,2-dimethylpentanedioate;13051-32-6;Dimethyl 2,2-dimethylglutarate;1,5-dimethyl 2,2-dimethylpentanedioate;EINECS 235-928-7;Glutaric acid, 2,2-dimethyl-, dimethyl ester;Pentanedioic acid, 2,2-dimethyl-, dimethyl ester;SCHEMBL759137;dimethyl-2,2-dimethylglutarate;DTXSID50156581;MFCD11553050;Dimethyl 2,2-dimethylpentanedioate #;AKOS005073074;2,2-Dimethylpentanedioic acid dimethyl;HC-0746;CS-0373233;FT-0681105;2,2-dimethyl-pentanedioic acid dimethyl ester;J-520354;METHYL2-METHOXY-4-[(METHYLSULFONYL)AMINO]-BENZOATE

Chemical Property of Dimethyl 2,2-dimethylpentanedioate

Chemical Property:

• Vapor Pressure: 0.301mmHg at 25°C
• Boiling Point: 201.9°Cat760mmHg
• Flash Point: 86.2°C
• PSA: 52.60000
• Density: 1.022g/cm³
• LogP: 1.13880
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 188.10485899
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

98%min ^*data from raw suppliers

Dimethyl 2,2-dimethylpentanedioate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl 2,2-dimethylpentanedioate

There total 12 articles about Dimethyl 2,2-dimethylpentanedioate 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: 98.41%

methanol (67-56-1) + 2,2-dimethylglutaric acid (681-57-2) → dimethyl 2,2-dimethylglutarate (13051-32-6)

Guidance literature:

With sulfuric acid; for 48h; Heating;

DOI:10.1021/ma047801x

Reference yield: 98.0%

methanol (67-56-1) + 3,3-dimethyl glutaric acid anhydride (2938-48-9) → dimethyl 2,2-dimethylglutarate (13051-32-6)

Guidance literature:

With sulfuric acid; at 50 ℃; for 24h;

DOI:10.1021/jm00071a008

Reference yield: 70.0%

2,2-dimethylglutaric acid (681-57-2) + methyl iodide (74-88-4) → dimethyl 2,2-dimethylglutarate (13051-32-6)

Guidance literature:

With potassium carbonate; In water; at 20 ℃; for 18h;

upstream raw materials:

methanol

2,2-dimethylglutaric acid

Methyl isobutyrate

acrylic acid methyl ester

Downstream raw materials:

methyl-4-carboxy-2,2-dimethylbutyrate

dimethyl 2-benzoyl-4,4-dimethylglutarate

4,4-dimethyl-L-glutamic acid

2-(3',5'-dimethoxyphenyl)-4,4-dimethyl-3-vinylcyclohex-2-enone

Refernces

• 1、 McCaffrey, Vanessa P.,Harbron, Elizabeth J.,Forbes, Malcolm D. E.. "Time-resolved EPR studies of main chain radicals from acrylic polymers. Dynamic effects due to conformational motion". . p. 3342 - 3350. Retrieved 2005.
• 2、 McCaffrey, Vanessa P.,Forbes, Malcolm D. E.. "Time-resolved EPR studies of main chain radicals from acrylic polymers. Structural characterization at high temperatures". . p. 3334 - 3341. Retrieved 2005.
• 3、 -. "CYCLIN-DEPENDENT KINASE 2 BIOMARKERS AND USES THEREOF". Page/Page column 120. . Retrieved 2020/08/28.