3,3-Dimethylpentane-1,5-diol

Base Information

• Chemical Name: 3,3-Dimethylpentane-1,5-diol
• CAS No.: 53120-74-4
• Molecular Formula: C7H16O2
• Molecular Weight: 132.203
• European Community (EC) Number: 843-400-8
• DSSTox Substance ID: DTXSID90510466
• Nikkaji Number: J803.226B
• Wikidata: Q82368775
• Mol file: 53120-74-4.mol

Synonyms:3,3-Dimethylpentane-1,5-diol;53120-74-4;3,3-Dimethyl-1,5-pentanediol;3,3-dimethyl-pentane-1,5-diol;1,5-Pentanediol, 3,3-dimethyl-;SCHEMBL37771;3,3-dimethyl-1,5-pentandiol;DTXSID90510466;CFEPFAMBMGCTQM-UHFFFAOYSA-N;AKOS016009208;AT18917;DS-4474;SB84526;FT-0758985;EN300-209406;A1-11046

Chemical Property of 3,3-Dimethylpentane-1,5-diol

Chemical Property:

• Melting Point: 44.24°C (estimate)
• Refractive Index: 1.4580
• Boiling Point: 233.16°C (rough estimate)
• PKA: 14.84±0.10(Predicted)
• PSA: 40.46000
• Density: 0.9744 (rough estimate)
• LogP: 0.77740
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 132.115029749
• Heavy Atom Count: 9
• Complexity: 61.3

Purity/Quality:

98%Min ^*data from raw suppliers

3,3-Dimethylpentane-1,5-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCO)CCO

Technology Process of 3,3-Dimethylpentane-1,5-diol

There total 9 articles about 3,3-Dimethylpentane-1,5-diol 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: 96.2%

3,3-Dimethylglutaric acid (4839-46-7) → 3,3-dimethylpent-1,5-diol (53120-74-4) + 3,3-dimethyl-glutaric acid monoethyl ester (71885-49-9)

Guidance literature:

With sulfuric acid; sodium hydrogencarbonate; In methanol; water; 1,2-dichloro-ethane;

Reference yield: 96.0%

diethyl 3,3-dimethylglutarate (17804-59-0) → 3,3-dimethylpent-1,5-diol (53120-74-4)

Guidance literature:

With red-Al; In toluene; at 15 - 25 ℃; for 19h; Large scale;

Reference yield: 95.0%

3,3-Dimethylglutaric acid (4839-46-7) → 3,3-dimethylpent-1,5-diol (53120-74-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; 1) 2 h, reflux, 2) 12 h, r.t.;

upstream raw materials:

3,3-Dimethylglutaric acid

diethyl 3,3-dimethylglutarate

3,3-dimethylglutaryl chloride

1,5-pentanedioic acid

Downstream raw materials:

5-(tert-butyldiphenylsiloxy)-3,3-dimethyl-1-pentanol

1,1-dibromo-6-(tert-butyldiphenylsiloxy)-4,4-dimethyl-1-hexene

6-(tertbutyldiphenylsiloxy)-4,4-dimethyl-1-(trimethylsilyl)-1-hexyne

mevalonolactone