7-Tetradecyne

Base Information

• Chemical Name: 7-Tetradecyne
• CAS No.: 35216-11-6
• Molecular Formula: C14H26
• Molecular Weight: 194.36
• Hs Code.: 2901299090
• European Community (EC) Number: 678-507-7
• DSSTox Substance ID: DTXSID00188716
• Nikkaji Number: J121.194C
• Wikidata: Q81985510
• Mol file: 35216-11-6.mol

Synonyms:7-Tetradecyne;35216-11-6;tetradec-7-yne;7-C14H26;7-Tetadecyne;7-TETRADECYNE, 97%,;DTXSID00188716;MFCD00041662;AKOS015843215;FT-0692974;T0762;T72347

Chemical Property of 7-Tetradecyne

Chemical Property:

• Melting Point: 2.51°C (estimate)
• Refractive Index: 1.4420-1.4460
• Boiling Point: 124°C 15mm
• Flash Point: 102.2oC
• PSA: 0.00000
• Density: 0,799 g/cm3
• LogP: 4.93060
• Water Solubility.: Insoluble in water
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 194.203450829
• Heavy Atom Count: 14
• Complexity: 139

Purity/Quality:

98% ^*data from raw suppliers

7-Tetradecyne >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC#CCCCCCC

Technology Process of 7-Tetradecyne

There total 16 articles about 7-Tetradecyne 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: 90.0%

1-bromo-hexane (111-25-1) + n-octyne (629-05-0) → 7-tetradecyne (35216-11-6)

Guidance literature:

n-octyne; With n-butyllithium; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; at -78 ℃; for 0.5h;

1-bromo-hexane; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; at 60 ℃; for 5h;

DOI:10.1021/jacs.8b01813

Reference yield: 52.0%

7-Trimethylsilyl-7(E)-tetradecen (57517-52-9) → 7-tetradecyne (35216-11-6)

Guidance literature:

With iodosylbenzene; boron trifluoride diethyl etherate; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1039/c39850000697

Reference yield:

n-octyne (629-05-0) + Dihexyl-methyl-borane → non-2-yne (19447-29-1) + 7-tetradecyne (35216-11-6)

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given;

DOI:10.1021/jo00374a005

upstream raw materials:

1-bromo-hexane

sodium acetylide

1,7,7,8,8,14-hexachloro-tetradecane

7,8-dichloro-tetradec-7-ene

Downstream raw materials:

oenanthic acid

tetradecane-7,8-dione

tetradec-7-ene

(E)-7-tetradecene

Refernces

• 1、 Bai, Yu-Bin,Luo, Zaigang,Wang, Yuguang,Gao, Jin-Ming,Zhang, Liming. "Au-Catalyzed Intermolecular [2+2] Cycloadditions between Chloroalkynes and Unactivated Alkenes". supporting information. p. 5860 - 5865. Retrieved 2018/05/14.
• 2、 Ochiai, Masahito,Sumi, Kenzo,Nagao, Yoshimitsu,Fujita, Eiichi,Arimoto, Masao,Yamaguchi, Hideo. "Dehydrosilylation of Alkenylsilanes Utilizing Polyvalent Organoiodine Compounds". . p. 697 - 699. Retrieved 2007/10/02.