3,8-Dimethyl-4,6-decadiyne-3,8-diol

Base Information

• Chemical Name: 3,8-Dimethyl-4,6-decadiyne-3,8-diol
• CAS No.: 6626-33-1
• Molecular Formula: C12H18 O2
• Molecular Weight: 194.274
• Hs Code.: 2905399090
• NSC Number: 59849
• DSSTox Substance ID: DTXSID00984775
• Nikkaji Number: J803.475C
• Wikidata: Q27159543
• Mol file: 6626-33-1.mol

Synonyms:3,8-Dimethyl-4,6-decadiyne-3,8-diol;6626-33-1;3,8-dimethyldeca-4,6-diyne-3,8-diol;4,6-Decadiyne-3,8-diol,3,8-dimethyl-;4,6-Decadiyne-3,8-diol, 3,8-dimethyl-;NSC59849;ACETOACETICACIDLITHIUMSALT;SCHEMBL11111398;CHEBI:87340;DTXSID00984775;NSC 59849;NSC-59849;AKOS001585060;3,8-dimethyl-4,6-decadi-yne-3,8-diol;EU-0000146;3,8-DIMETHYL-4,6-DECADIYN-3,8-DIOL;SR-01000389353;SR-01000389353-1;Q27159543

Chemical Property of 3,8-Dimethyl-4,6-decadiyne-3,8-diol

Chemical Property:

• Vapor Pressure: 3.13E-05mmHg at 25°C
• Boiling Point: 317.8°C at 760 mmHg
• Flash Point: 146.6°C
• PSA: 40.46000
• Density: 1.031g/cm³
• LogP: 1.31520
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 285

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

3,8-Dimethyl-4,6-decadiyne-3,8-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C#CC#CC(C)(CC)O)O

Technology Process of 3,8-Dimethyl-4,6-decadiyne-3,8-diol

There total 2 articles about 3,8-Dimethyl-4,6-decadiyne-3,8-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: 53.0%

bis-(dimethylamino)methane (51-80-9) + meparfynol (77-75-8) → 3,8-dimethyldeca-4,6-diyn-3,8-diol (6626-33-1) + 6-(dimethylamino)-3-methylhex-4-yn-3-ol (20536-87-2)

Guidance literature:

With copper(l) chloride; In dimethyl sulfoxide; at 80 ℃; for 6h; Inert atmosphere;

DOI:10.1134/S1070428011020023

Reference yield:

phenylacetylene (536-74-3) + meparfynol (77-75-8) → 3,8-dimethyldeca-4,6-diyn-3,8-diol (6626-33-1) + 1,4-diphenyl-1,3-butadiyne (886-66-8) + 5-hydroxy-5-methyl-1-phenylhept-1,3-diyne (92495-62-0)

Guidance literature:

With morpholine; In acetone; at 20 ℃; for 24h;

DOI:10.1039/c0ob00224k

Reference yield:

3,8-dimethyldeca-4,6-diyn-3,8-diol (6626-33-1) + Phenyl azide (622-37-7) → 5,5'-bis-(1-hydroxy-1-methyl-propyl)-1,3'-diphenyl-1H,3'H-[4,4']bi[1,2,3]triazolyl (119598-52-6)

Guidance literature:

upstream raw materials:

phenylacetylene

meparfynol

bis-(dimethylamino)methane

Downstream raw materials:

5,5'-bis-(1-hydroxy-1-methyl-propyl)-1,3'-diphenyl-1H,3'H-[4,4']bi[1,2,3]triazolyl

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