2,7-Dimethyl-2,7-octanediol

Base Information

• Chemical Name: 2,7-Dimethyl-2,7-octanediol
• CAS No.: 19781-07-8
• Molecular Formula: C10H22 O2
• Molecular Weight: 174.283
• Hs Code.: 2905399090
• DSSTox Substance ID: DTXSID40173484
• Nikkaji Number: J803.272F
• Wikidata: Q83043552
• Mol file: 19781-07-8.mol

Synonyms:2,7-Dimethyl-2,7-octanediol;2,7-dimethyloctane-2,7-diol;19781-07-8;2,7-Octanediol, 2,7-dimethyl-;SCHEMBL1269985;2,7-dimethyl-2,7-octane diol;DTXSID40173484;MFCD00021818;AKOS006275339

Chemical Property of 2,7-Dimethyl-2,7-octanediol

Chemical Property:

• Vapor Pressure: 0.00326mmHg at 25°C
• Boiling Point: 251.2°Cat760mmHg
• Flash Point: 107.7°C
• PSA: 40.46000
• Density: 0.923g/cm³
• LogP: 2.08860
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 174.161979940
• Heavy Atom Count: 12
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

2,7-DIMETHYL-2,7-OCTANEDIOL Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CC(C)(CCCCC(C)(C)O)O

Technology Process of 2,7-Dimethyl-2,7-octanediol

There total 16 articles about 2,7-Dimethyl-2,7-octanediol 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: 100.0%

2-Methyl-2-(tert-butylperoxy)cyclohexanon (25462-04-8) + methyllithium (917-54-4) → 2,7-dimethyloctane-2,7-diol (19781-07-8)

Guidance literature:

In diethyl ether; Ambient temperature;

DOI:10.1055/s-1986-31866

Reference yield: 83.0%

hexanedioic acid dimethyl ester (627-93-0) + methylmagnesium bromide (75-16-1) → 2,7-dimethyloctane-2,7-diol (19781-07-8)

Guidance literature:

In tetrahydrofuran; diethyl ether; for 10h; Reflux; Inert atmosphere;

DOI:10.1002/ejoc.201900707

Reference yield: 71.0%

diethyl adipate (141-28-6) + methyl iodide (74-88-4) → 2,7-dimethyloctane-2,7-diol (19781-07-8)

Guidance literature:

With magnesium; In diethyl ether; at 25 ℃; for 48h; Inert atmosphere;

DOI:10.1055/s-0034-1380381

upstream raw materials:

2,7-dimethyl-octa-3,5-diyne-2,7-diol

(E)-2,7-dimethyl-4-octene-2,7-diol

acetone

1,4-bis(bromomagnesium)butane

Downstream raw materials:

2,7-dimethyl-octa-2,6-diene

1-isopropyl-5,5-dimethylcyclopent-1-ene

2-isopropylidene-1,1-dimethyl-cyclopentane

2-isopropenyl-1,1-dimethyl-cyclopentane

Refernces

• 1、 Matsubara, Hiroshi,Niwa, Yuki,Matake, Ryosuke. "A Grignard-type phase-vanishing method: Generation of organomagnesium reagent and its subsequent addition to carbonyl compounds". . p. 1276 - 1280. Retrieved 2015/06/02.
• 2、 -. "Acyclic monomers which when cured are reworkable through thermal decomposition". . . Retrieved 2008/06/13.