6-Heptynal

Base Information

• Chemical Name: 6-Heptynal
• CAS No.: 67100-10-1
• Molecular Formula: C7H10O
• Molecular Weight: 110.156
• European Community (EC) Number: 850-035-8
• DSSTox Substance ID: DTXSID80463235
• Nikkaji Number: J1.654.962B
• Mol file: 67100-10-1.mol

Synonyms:6-Heptynal;Hept-6-ynal;67100-10-1;SCHEMBL2493666;DTXSID80463235;UIRZQOFYQKICOZ-UHFFFAOYSA-N;AKOS013847252;EN300-6210285

Chemical Property of 6-Heptynal

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 110.073164938
• Heavy Atom Count: 8
• Complexity: 96.2

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CCCCCC=O

Technology Process of 6-Heptynal

There total 1 articles about 6-Heptynal 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: 5.0%

4-(prop-2-yn-1-yloxy)but-1-ene (93199-28-1) → 4-pentyn-1-al (18498-59-4) + 1,2-propanediene (463-49-0) + hept-6-ynal (67100-10-1)

Guidance literature:

at 480 ℃; for 0.00277778h; under 760 Torr;

DOI:10.1016/S0040-4039(00)80108-2

Reference yield: 84.0%

benzyl(hepta-1,6-diynyl)dimethylsilane (1415667-40-1) + hept-6-ynal (67100-10-1) → 14-(benzyldimethylsilyl)tetradeca-1,8,13-triyn-7-ol (1415667-56-9)

Guidance literature:

benzyl(hepta-1,6-diynyl)dimethylsilane; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.75h; Inert atmosphere;

hept-6-ynal; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ol303041j

Reference yield: 84.0%

(+/-)-(phenylsulfonyl)(p-tolylsulfinyl)methane (129083-18-7) + hept-6-ynal (67100-10-1) → (E)-1-(Phenylsulfonyl)oct-1-en-7-yn-3-ol (355150-56-0)

Guidance literature:

With piperidine; In acetonitrile; at 0 ℃; for 5h;

DOI:10.1002/1521-3765(20010601)7:11<2435::AID-CHEM24350>3.0.CO;2-O

upstream raw materials:

4-(prop-2-yn-1-yloxy)but-1-ene

Downstream raw materials:

2-Hex-5-ynyl-[1,3]dioxolane

(E)-1-(Phenylsulfonyl)oct-1-en-7-yn-3-ol

7,7-dimethoxyhept-1-yne

(E)-3-Ethoxymethoxy-1-(phenylsulfonyl)oct-1-en-7-yne