Dimethyl 2,2-dimethylhexanedioate

Base Information

• Chemical Name: Dimethyl 2,2-dimethylhexanedioate
• CAS No.: 17219-21-5
• Molecular Formula: C₁₀H₁₈O₄
• Molecular Weight: 202.251
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID90169211
• Nikkaji Number: J144.139F
• Wikidata: Q83038863
• Mol file: 17219-21-5.mol

Synonyms:DIMETHYL 2,2-DIMETHYLHEXANEDIOATE;17219-21-5;2,2-Dimethylhexanedioic acid dimethyl ester;dimethyl dimethyladipate;SCHEMBL8433296;DTXSID90169211;Hexanedioic acid, 2,2-dimethyl-, dimethyl ester

Chemical Property of Dimethyl 2,2-dimethylhexanedioate

Chemical Property:

• Vapor Pressure: 0.13mmHg at 25°C
• Boiling Point: 217.8°C at 760 mmHg
• Flash Point: 93.4°C
• PSA: 52.60000
• Density: 1.008g/cm³
• LogP: 1.52890
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 202.12050905
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl 2,2-dimethylhexanedioate

There total 3 articles about Dimethyl 2,2-dimethylhexanedioate 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:

2,2-Dimethylcyclopropanon-methyl-hemiacetal (10446-55-6) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → dimethyl 1,1-dimethyladipate (17219-21-5)

Guidance literature:

With ammonium hydroxide; copper(II) sulfate; In methanol;

Reference yield:

1-methoxy-2,2-dimethyl-1-trimethylsiloxycyclopropane (86593-99-9) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → dimethyl 1,1-dimethyladipate (17219-21-5)

Guidance literature:

With sodium tetrahydroborate; mercury(II) diacetate; Yield given. Multistep reaction; 1) ethanol, room temperature, 30 min; 2) methylene chloride, water, 0 deg C, 15 min;

DOI:10.1016/S0040-4020(01)97181-9

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2,2-dimethyladipic acid (763-06-4) → dimethyl 1,1-dimethyladipate (17219-21-5)

Guidance literature:

With diethyl ether;

upstream raw materials:

diazomethane

2,2-dimethyladipic acid

2,2-Dimethylcyclopropanon-methyl-hemiacetal

acrylic acid methyl ester

Downstream raw materials:

2,2,9,9-tetramethyl-decanedioic acid

2,2,9,9-tetramethyl-decanedioic acid-dianilide