1-Dodecyne

Base Information

• Chemical Name: 1-Dodecyne
• CAS No.: 765-03-7
• Molecular Formula: C12H22
• Molecular Weight: 166.307
• Hs Code.: 29012900
• European Community (EC) Number: 212-134-9
• DSSTox Substance ID: DTXSID4061094
• Nikkaji Number: J111.041A
• Wikidata: Q81989312
• Mol file: 765-03-7.mol

Synonyms:1-Dodecyne;765-03-7;dodec-1-yne;Dodecyne;1-C12H22;EINECS 212-134-9;1-Dodecyne, 98%;1dodecyne;1 -dodecyne;dodec-1-yn;DTXSID4061094;MFCD00008960;AKOS015836222;AS-46788;CS-0180906;D0997;FT-0607715;F10501

Chemical Property of 1-Dodecyne

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.222mmHg at 25°C
• Melting Point: ?19 °C(lit.)
• Refractive Index: n20/D 1.434(lit.)
• Boiling Point: 215 °C at 760 mmHg
• Flash Point: 79.4 °C
• PSA: 0.00000
• Density: 0.79 g/cm³
• LogP: 4.15040
• Water Solubility.: Not miscible in water.
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 166.172150702
• Heavy Atom Count: 12
• Complexity: 115

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Dodecyne >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCC#C
• Uses: 1-Dodecyne was used in the synthesis of stable ruthenium nanoparticles.

Technology Process of 1-Dodecyne

There total 21 articles about 1-Dodecyne 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: 97.0%

6-dodecyne (6975-99-1) → 1-dodecyne (765-03-7)

Guidance literature:

With potassium salt of 1,3-diaminopropane; In tetrahydrofuran; at 0 ℃; for 0.5h; other reagent;

DOI:10.1021/jo00187a038

Reference yield: 95.0%

(Z)-1-dimethylphenylsilyl-2-iodo-1-dodecene (86014-21-3) → 1-dodecyne (765-03-7)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; dimethyl sulfoxide; at 80 ℃; for 0.25h;

DOI:10.1016/S0040-4020(01)96677-3

Reference yield: 92.0%

1-trimethylsilyldodec-1-yne (121134-52-9) → 1-dodecyne (765-03-7)

Guidance literature:

With silver nitrate; In water; acetone; at 20 - 55 ℃; for 48h;

DOI:10.1002/ejoc.200400810

upstream raw materials:

1,2-Dibromododecane

1-bromo dodecane

sodium acetylide

Iododecane

Downstream raw materials:

1,1-diethoxy-tridec-2-yne

1-hydroxy-tetradec-3-yne

trans-3-tetradecen-1-ol

1-dodecene

Refernces

• 1、 -. "SYNTHESIS OF OLEFINIC ALCOHOLS VIA ENZYMATIC TERMINAL HYDROXYLATION". Paragraph 0281; 0282. . Retrieved 2016/01/30.
• 2、 Barrett, Anthony G. M.,Hopkins, Brian T.,Love, Andrew C.,Tedeschi, Livio. "Parallel synthesis of terminal alkynes using a ROMPgel-supported ethyl 1-diazo-2-oxopropylphosphonate". . p. 835 - 837. Retrieved 2007/10/03.