(E)-12-(1-Ethoxyethoxy)dodec-5-en-3-yne

Base Information

• Chemical Name: (E)-12-(1-Ethoxyethoxy)dodec-5-en-3-yne
• CAS No.: 58763-67-0
• Molecular Formula: C16H28 O2
• Molecular Weight: 252.397
• European Community (EC) Number: 261-425-7
• DSSTox Substance ID: DTXSID40886284
• Nikkaji Number: J297.019H
• Mol file: 58763-67-0.mol

Synonyms:(E)-12-(1-Ethoxyethoxy)dodec-5-en-3-yne;58763-67-0;EINECS 261-425-7;5-Dodecen-3-yne, 12-(1-ethoxyethoxy)-, (5E)-;(E)-1-((Ethoxy)ethoxy)-7-dodecen-9-yne;DTXSID40886284;(E)-12-(1-Ethoxyethoxy)-5-dodecen-3-yne;5-Dodecen-3-yne, 12-(1-ethoxyethoxy)-, (E)-

Chemical Property of (E)-12-(1-Ethoxyethoxy)dodec-5-en-3-yne

Chemical Property:

• Vapor Pressure: 0.000174mmHg at 25°C
• Boiling Point: 340°C at 760 mmHg
• Flash Point: 113.2°C
• PSA: 18.46000
• Density: 0.892g/cm³
• LogP: 4.30560
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 252.208930132
• Heavy Atom Count: 18
• Complexity: 257

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC#CC=CCCCCCCOC(C)OCC
• Isomeric SMILES: CCC#C/C=C/CCCCCCOC(C)OCC

Technology Process of (E)-12-(1-Ethoxyethoxy)dodec-5-en-3-yne

There total 1 articles about (E)-12-(1-Ethoxyethoxy)dodec-5-en-3-yne 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:

9-bromo-non-5-en-3-yne (60222-94-8) + 3-(1-ethoxyethoxy)propyllithium (37494-03-4) → 12-(1-ethoxy-ethoxy)-dodec-5t-en-3-yne (58763-67-0)

Guidance literature:

With dilithium tetrachlorocuprate; In tetrahydrofuran; at -5 ℃; for 1h;

DOI:10.1016/S0040-4039(00)91150-X

Reference yield:

12-(1-ethoxy-ethoxy)-dodec-5t-en-3-yne (58763-67-0) → (7E,9Z)-dodeca-7,9-dien-1-ol (54364-60-2)

Guidance literature:

Multi-step reaction with 3 steps

1: CCl₃CO₂H / tetrahydrofuran; H₂O / 1 h / 60 °C

2: Et₃N / CH₂Cl₂

3: (i) bis-(1,2-dimethyl-propyl)-borane, THF, (ii) AcOH, (iii) CCl₃CO₂H, MeOH

With triethylamine; trichloroacetic acid; In tetrahydrofuran; dichloromethane; water;

DOI:10.1016/S0040-4039(00)91150-X

Reference yield:

12-(1-ethoxy-ethoxy)-dodec-5t-en-3-yne (58763-67-0) → (7E,9Z)-7,9-dodecadien-1-yl acetate (54364-62-4)

Guidance literature:

Multi-step reaction with 4 steps

1: CCl₃CO₂H / tetrahydrofuran; H₂O / 1 h / 60 °C

2: Et₃N / CH₂Cl₂

3: (i) bis-(1,2-dimethyl-propyl)-borane, THF, (ii) AcOH, (iii) CCl₃CO₂H, MeOH

4: (acetylation)

With triethylamine; trichloroacetic acid; In tetrahydrofuran; dichloromethane; water;

DOI:10.1016/S0040-4039(00)91150-X

upstream raw materials:

9-bromo-non-5-en-3-yne

3-(1-ethoxyethoxy)propyllithium

Downstream raw materials:

trans-7-dodecene-9-ynol

dodec-7t-en-9-ynyloxy-trimethyl-silane

(7E,9Z)-dodeca-7,9-dien-1-ol

(7E,9Z)-7,9-dodecadien-1-yl acetate