2H-Pyran, tetrahydro-2-(12-tetradecen-9-ynyloxy)-

Base Information

• Chemical Name: 2H-Pyran, tetrahydro-2-(12-tetradecen-9-ynyloxy)-
• CAS No.: 68516-29-0
• Molecular Formula: C19H32O2
• Molecular Weight: 292.462
• European Community (EC) Number: 271-143-6
• DSSTox Substance ID: DTXSID80887432
• Nikkaji Number: J446.781G,J332.461C
• Mol file: 68516-29-0.mol

Synonyms:68516-29-0;EINECS 271-143-6;2H-Pyran, tetrahydro-2-(12-tetradecen-9-ynyloxy)-;(E)-Tetrahydro-2-(12-tetradecen-9-ynyloxy)-2H-pyran;71317-77-6;(E)-2-(12-Tetradecen-9-yn-1-yloxy)tetrahydropyran;2H-Pyran, 2-((12-tetradecen-9-ynyl)oxy)tetrahydro-;2H-Pyran, tetrahydro-2-(12-tetradecen-9-yn-1-yloxy)-;2H-Pyran, tetrahydro-2-((12E)-12-tetradecen-9-ynyloxy)-;2H-Pyran, tetrahydro-2-[(12E)-12-tetradecen-9-ynyloxy]-;2H-Pyran, tetrahydro-2-((12E)-12-tetradecen-9-yn-1-yloxy)-;2H-Pyran, tetrahydro-2-[(12E)-12-tetradecen-9-yn-1-yloxy]-;DTXSID80887432;Tetrahydro-2-[(12-tetradecen-9-ynyl)oxy]-2H-pyran;Tetrahydro-2-[(E)-12-tetradecen-9-ynyloxy]-2H-pyran;2H-Pyran, tetrahydro-2-(12-tetradecen-9-ynyloxy)-, (E)-

Chemical Property of 2H-Pyran, tetrahydro-2-(12-tetradecen-9-ynyloxy)-

Chemical Property:

• Vapor Pressure: 1.01E-05mmHg at 25°C
• Boiling Point: 382.9°Cat760mmHg
• Flash Point: 126.2°C
• PSA: 18.46000
• Density: 0.93g/cm³
• LogP: 5.22990
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 292.240230259
• Heavy Atom Count: 21
• Complexity: 321

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=CCC#CCCCCCCCCOC1CCCCO1
• Isomeric SMILES: C/C=C/CC#CCCCCCCCCOC1CCCCO1

Technology Process of 2H-Pyran, tetrahydro-2-(12-tetradecen-9-ynyloxy)-

There total 8 articles about 2H-Pyran, tetrahydro-2-(12-tetradecen-9-ynyloxy)- 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-chloro-2-(tetrahydropyran-2-yloxy)octane (19754-57-5) → 1-(Tetrahydropyran-2-yloxy)tetradec-12E-en-9-yne (68516-29-0,71317-77-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 52 percent / dimethylsulfoxide / 15 h / Ambient temperature

2: 1. EtMgBr / 2. CuBr / 1. THF, reflux, 1h; 2. THF, a.) reflux, 1h, b.) r.t., 36h

With ethylmagnesium bromide; copper(I) bromide; In dimethyl sulfoxide;

DOI:10.1007/BF00598272

Reference yield:

1,8-Octanediol (629-41-4) → 1-(Tetrahydropyran-2-yloxy)tetradec-12E-en-9-yne (68516-29-0,71317-77-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 73 percent / aq. HCl / heptane; octane / 20 h / Heating

2: 67 percent / HCl / 3 h / Ambient temperature

3: 1. Na / 1. xylene, 105 deg C; 2. DMFA, r.t., 10h

4: 1. EtMgBr / 2. CuBr / 1. THF, reflux, 1h; 2. THF, a.) reflux, 1h, b.) r.t., 36h

With hydrogenchloride; ethylmagnesium bromide; sodium; copper(I) bromide; In octane; n-heptane;

DOI:10.1007/BF00598272

Reference yield:

diethyl suberate (2050-23-9) → 1-(Tetrahydropyran-2-yloxy)tetradec-12E-en-9-yne (68516-29-0,71317-77-6)

Guidance literature:

Multi-step reaction with 5 steps

1: 81 percent / LiAlH₄

2: 73 percent / aq. HCl / heptane; octane / 20 h / Heating

3: 67 percent / HCl / 3 h / Ambient temperature

4: 1. Na / 1. xylene, 105 deg C; 2. DMFA, r.t., 10h

5: 1. EtMgBr / 2. CuBr / 1. THF, reflux, 1h; 2. THF, a.) reflux, 1h, b.) r.t., 36h

With hydrogenchloride; lithium aluminium tetrahydride; ethylmagnesium bromide; sodium; copper(I) bromide; In octane; n-heptane;

DOI:10.1007/BF00598272

upstream raw materials:

2-dec-9-ynyloxy-tetrahydro-pyran

trans-but-2-enyl chloride

(E)-1-Bromo-2-butene

3,4-dihydro-2H-pyran

Downstream raw materials:

Tetradeca-cis-9,trans-12-dien-1-ol

Tetradec-9Z,12E-dien-1-yl Acetate