7,7-Dimethoxy-hept-1-yne

Base Information

• Chemical Name: 7,7-Dimethoxy-hept-1-yne
• CAS No.: 60090-80-4
• Molecular Formula: C9H16O2
• Molecular Weight: 156.22214
• Hs Code.: 2909199090
• DSSTox Substance ID: DTXSID70469221
• Wikidata: Q82296839
• Mol file: 60090-80-4.mol

Synonyms:7,7-DIMETHOXY-HEPT-1-YNE;60090-80-4;SCHEMBL17965740;DTXSID70469221;AKOS006239778

Chemical Property of 7,7-Dimethoxy-hept-1-yne

Chemical Property:

• PSA: 18.46000
• LogP: 1.79890
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

7,7-DIMETHOXY-HEPT-1-YNE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(CCCCC#C)OC

Technology Process of 7,7-Dimethoxy-hept-1-yne

There total 3 articles about 7,7-Dimethoxy-hept-1-yne 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: 76.0%

hept-6-ynal (67100-10-1) + trimethyl orthoformate (149-73-5) → 7,7-dimethoxyhept-1-yne (60090-80-4)

Guidance literature:

With sulfuric acid; In methanol; for 0.5h; cooling;

DOI:10.1021/jo052001l

Reference yield:

1,1-dimethoxy-5-chloropentane (92886-56-1) + acetylene (74-86-2,25067-58-7) → 7,7-dimethoxyhept-1-yne (60090-80-4)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1) THF, hexane, 0 deg C, 2) DMSO, RT, 14 h;

Reference yield:

(7,7-dimethoxy-1-heptynyl)trimethylsilane (132048-25-0) + methyl iodide (74-88-4) → 7,7-dimethoxyhept-1-yne (60090-80-4) + 7,7-dimethoxy-3-methyl-1-trimethylsilyl-1-heptyne (154913-83-4)

Guidance literature:

With n-butyllithium; hexane; Yield given. Multistep reaction. Yields of byproduct given; 1.) Et₂O, TMEDA, -10 deg C, 1 h, 2.) r.t., 15 h;

upstream raw materials:

1,1-dimethoxy-5-chloropentane

acetylene

(7,7-dimethoxy-1-heptynyl)trimethylsilane

methyl iodide