Oct-7-ynal

Base Information

• Chemical Name: Oct-7-ynal
• CAS No.: 821-75-0
• Molecular Formula: C8H12O
• Molecular Weight: 124.183
• European Community (EC) Number: 844-621-2
• Nikkaji Number: J1.654.963K
• Mol file: 821-75-0.mol

Synonyms:Oct-7-ynal;821-75-0;7-Octynal;SCHEMBL2497118;EN300-245717

Chemical Property of Oct-7-ynal

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 107

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCCCCCC=O

Technology Process of Oct-7-ynal

There total 1 articles about Oct-7-ynal 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:

1,7-Octadiyne (871-84-1) → 1,8-octanedial (638-54-0) + oct-7-yn-al (821-75-0)

Guidance literature:

With [CpRu(6-Ph₂P-Py-2-yl)(MeCN)][PF₆^(1-)]; water; In acetone; at 70 ℃; for 24h;

DOI:10.1021/ja046360u

Reference yield: 89.0%

carbon monoxide (201230-82-2) + oct-7-yn-al (821-75-0) + HSiPh3 (789-25-3) → 2-[1-Triphenylsilanyl-meth-(Z)-ylidene]-octanedial

Guidance literature:

With acetylacetonatodicarbonylrhodium(l); In toluene; at 25 ℃; for 40h; under 7600 Torr;

DOI:10.1021/ja00087a078

Reference yield: 66.0%

oct-7-yn-al (821-75-0) + benzonitrile (100-47-0) → C15H15NO (1429642-42-1)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; tris[2-phenylpyridinato-C₂,N]iridium(III); Benzyl-isopropyl-amin; sodium carbonate; acetic acid; In water; at 23 ℃; Irradiation;

DOI:10.1126/science.1232993

upstream raw materials:

1,7-Octadiyne

Downstream raw materials:

1-{[(3E)-dec-3-en-9-ynyloxy]methyl}-4-methoxybenzene

(3S,4S)-1-[(4-methoxybenzyl)oxy]dec-9-yne-3,4-diol

(4S,5S)-(4-hex-5-ynyl)-5-{2-[(4-methoxybenzyl)oxy]ethyl}-2,2-dimethyl-1,3-dioxolane

(3S,4S)-4-hydroxy-14-methoxy-3-{2-[(4-methoxybenzyl)oxy]ethyl}-3,4,5,6,7,8-hexahydro-1H-2-benzoxacyclododecin-1-one

Refernces