2,8-Decadiyne

Base Information

• Chemical Name: 2,8-Decadiyne
• CAS No.: 4116-93-2
• Molecular Formula: C10H14
• Molecular Weight: 134.221
• Hs Code.: 2901299090
• European Community (EC) Number: 679-781-0
• DSSTox Substance ID: DTXSID20194096
• Nikkaji Number: J113.864B
• Wikidata: Q83066853
• Mol file: 4116-93-2.mol

Synonyms:2,8-DECADIYNE;4116-93-2;deca-2,8-diyne;DTXSID20194096;KORPQWPYEOSKGV-UHFFFAOYSA-N;MFCD00048593;AKOS015841156;D1725;FT-0635140;T70891

Chemical Property of 2,8-Decadiyne

Chemical Property:

• Refractive Index: 1.4670-1.4700
• Boiling Point: 187.2°Cat760mmHg
• Flash Point: 56.4°C
• PSA: 0.00000
• Density: 0.837g/cm³
• LogP: 2.59340
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 134.109550447
• Heavy Atom Count: 10
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

2,8-Decadiyne ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CCCCCC#CC

Technology Process of 2,8-Decadiyne

There total 6 articles about 2,8-Decadiyne 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: 89.0%

1,7-Octadiyne (871-84-1) + methyl iodide (74-88-4) → deca-2,8-diyne (4116-93-2)

Guidance literature:

1,7-Octadiyne; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

methyl iodide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h;

DOI:10.1021/ja309301n

Reference yield:

5-iodopent-2-yne (18719-28-3) → deca-2,8-diyne (4116-93-2)

Guidance literature:

With magnesium; In diethyl ether;

DOI:10.1039/j39680000217

Reference yield:

pent-3-yn-1-yl 4-methylbenzenesulfonate (3329-88-2) → deca-2,8-diyne (4116-93-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NaI / acetone

2: Mg / diethyl ether

With magnesium; sodium iodide; In diethyl ether; acetone;

DOI:10.1039/j39680000217

upstream raw materials:

diiodomethane

1,7-Octadiyne

5-iodopent-2-yne

dimethyl sulfate

Downstream raw materials:

1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene

Hexamethylbenzene

5,6,7,8-tetramethyl-1,2,3,4-tetrahydrobenzocyclohexene

7,8,9,10-tetramethyltricyclo<4.2.2.0^1,6>undeca-7,9-diene