2,4-Pentadienenitrile

Base Information

• Chemical Name: 2,4-Pentadienenitrile
• CAS No.: 2180-68-9
• Molecular Formula: C5H5N
• Molecular Weight: 79.1014
• European Community (EC) Number: 216-566-9
• UNII: 53403153MA
• Nikkaji Number: J371.017C,J102.114A
• Wikidata: Q27261060
• Mol file: 2180-68-9.mol

Synonyms:1-Cyano-1,3-butadiene;2,4-Pentadienenitrile;Penta-2,4-dienenitrile;1,3-Butadiene, 1-cyano-;trans-2,4-Pentadienenitrile;trans-1-Cyanobutadiene;(2E)-2,4-Pentadienenitrile;trans-1-Cyanobuta-1,3-diene;2,4-Pentadienenitrile, trans-;2,4-Pentadienenitrile, (E)-;2,4-Pentadienenitrile, (2E)-;1615-70-9;UNII-53403153MA;2180-68-9;53403153MA;1-Cyanobutadiene;C5-H5-N;Cyanbutadien;NSC 509215;NSC-509215;CH2=CHCH=CHCN;(E)-2,4-Pentadienenitrile;Cis-1-cyano-1,3-butadiene;Trans-1-cyano-1,3-butadiene;(2E)-2,4-Pentadienenitrile #;STSRVFAXSLNLLI-ONEGZZNKSA-N;AKOS006286890;Q27261060

Chemical Property of 2,4-Pentadienenitrile

Chemical Property:

• Melting Point: -43°C
• Refractive Index: 1.4986 (estimate)
• Boiling Point: 65 - 66 °C (58 mmHg)
• PSA: 23.79000
• Density: 0.8576
• LogP: 1.25218
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 79.042199164
• Heavy Atom Count: 6
• Complexity: 102

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitriles
• Canonical SMILES: C=CC=CC#N
• Isomeric SMILES: C=C/C=C/C#N

Technology Process of 2,4-Pentadienenitrile

There total 1 articles about 2,4-Pentadienenitrile 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:

→ C5H5N (1615-70-9,2180-68-9,2180-69-0)

Guidance literature:

2-Pyridyl-Radikal, photochemisch (S. 723);

DOI:10.1021/ja00758a007

Reference yield: 62.0%

(E)-penta-2,4-dienenitrile (2180-68-9) + methyl 2-(benzylideneamino)acetate (66646-88-6) → (2R,4R,5S)-methyl 4-((E)-2-cyanovinyl)-5-phenylpyrrolidine-2-carboxylate

Guidance literature:

With (R)-((4,4’-bi-1,3-benzodioxole)-5,5’-diyl)bis(bis(3,5-di-t-butyl-4-methoxyphenyl))phosphine; tetrakis(actonitrile)copper(I) hexafluorophosphate; potassium tert-butylate; In tetrahydrofuran; toluene; at 20 ℃; for 8h; stereoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201500182

Reference yield:

(E)-penta-2,4-dienenitrile (2180-68-9) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) → (+/-)-3t-norborn-5-ene-2endo-yl-acrylonitrile (85391-86-2)

Guidance literature:

With 2,4,6-Trinitrophenol;

DOI:10.1021/ja01165a072

Downstream raw materials:

(+/-)-3t-(cis-2-cyano-cyclohex-3-enyl)-acrylonitrile

(+/-)-3t-norborn-5-ene-2endo-yl-acrylonitrile

(E)-Bicyclo[8.2.2]tetradeca-1⁽¹³⁾,5,10⁽¹⁴⁾,11-tetraene-4-carbonitrile

(+/-)-3-(cis-2-cyano-cyclohexyl)-propionitrile