Dodec-11-enenitrile

Base Information

• Chemical Name: Dodec-11-enenitrile
• CAS No.: 5048-44-2
• Molecular Formula: C12H21 N
• Molecular Weight: 179.305
• Hs Code.: 2926909090
• European Community (EC) Number: 225-746-6
• DSSTox Substance ID: DTXSID10198503
• Nikkaji Number: J132.572H
• Wikidata: Q83071272
• Mol file: 5048-44-2.mol

Synonyms:Dodec-11-enenitrile;11-dodecenenitrile;5048-44-2;EINECS 225-746-6;SCHEMBL3119157;DTXSID10198503;MFCD27966035

Chemical Property of Dodec-11-enenitrile

Chemical Property:

• Vapor Pressure: 0.00527mmHg at 25°C
• Boiling Point: 274.9°Cat760mmHg
• Flash Point: 125.5°C
• PSA: 23.79000
• Density: 0.833g/cm³
• LogP: 4.20688
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 179.167399674
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCCCCCCCC#N

Technology Process of Dodec-11-enenitrile

There total 20 articles about Dodec-11-enenitrile 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: 98.0%

potassium cyanide (151-50-8) + undec-10-en-1-yl methanesulfonate (52355-50-7) → 11-dodecenenittrile (5048-44-2)

Guidance literature:

In dimethyl sulfoxide; at 80 ℃; for 0.166667h;

DOI:10.1021/jm960170f

Reference yield: 96.0%

2-Chloro-dodec-11-enenitrile → 11-dodecenenittrile (5048-44-2)

Guidance literature:

With sodium hydrogen telluride; acetic acid; In ethanol; benzene; for 5h; Ambient temperature;

DOI:10.1016/0040-4020(96)00401-2

Reference yield: 95.0%

10-undecen-1-yl p-toluenesulfonate (51148-67-5) → 11-dodecenenittrile (5048-44-2)

Guidance literature:

In dimethyl sulfoxide; for 24h;

DOI:10.1016/0040-4020(82)80041-0

upstream raw materials:

10-Undecen-1-ol

1-undecen-11-ylbromide

potassium cyanide

Trifluoressigsaeure-undecen-10-ylester

Downstream raw materials:

dodec-11-enal

12-bromododecanenitrile

dodec-11-ynoic acid

tetradeca-1,13-dien-3-one

Refernces

• 1、 Kaiser, Daniel,Tona, Veronica,Gon?alves, Carlos R.,Shaaban, Saad,Oppedisano, Alberto,Maulide, Nuno. "A General Acid-Mediated Hydroaminomethylation of Unactivated Alkenes and Alkynes". supporting information. p. 14639 - 14643. Retrieved 2019/09/17.
• 2、 Imai, Masanori,Tanaka, Masakazu,Nagumo, Shinji,Kawahara, Norio,Suemune, Hiroshi. "Nitrile-promoted Rh-catalyzed intermolecular hydroacylation of olefins with salicylaldehyde". . p. 2543 - 2546. Retrieved 2008/02/02.