1,5-Dicyanopentane

Base Information

• Chemical Name: 1,5-Dicyanopentane
• CAS No.: 646-20-8
• Molecular Formula: C7H10 N2
• Molecular Weight: 122.17
• Hs Code.: 29269090
• European Community (EC) Number: 211-469-8
• NSC Number: 5392
• UNII: 3D5H23A27Q
• DSSTox Substance ID: DTXSID3060952
• Nikkaji Number: J49.281G
• Wikidata: Q27257057
• Mol file: 646-20-8.mol

Synonyms:Pimelonitrile(6CI,7CI,8CI); 1,5-Dicyanopentane; 1,7-Heptanedinitrile; NSC 5392; Pimelic aciddinitrile

Chemical Property of 1,5-Dicyanopentane

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS LIQUID
• Vapor Pressure: 0.000587mmHg at 25°C
• Melting Point: -31.4°C
• Refractive Index: n20/D 1.441(lit.)
• Boiling Point: 175-176 °C14 mm Hg(lit.)
• Flash Point: 112 ºC
• PSA: 47.58000
• Density: 0.951
• LogP: 1.98406
• Storage Temp.: Store below +30°C.
• Water Solubility.: Insoluble in water
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 122.084398327
• Heavy Atom Count: 9
• Complexity: 125

Purity/Quality:

98% ^*data from raw suppliers

Pimelonitrile >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCC#N)CCC#N

Technology Process of 1,5-Dicyanopentane

There total 17 articles about 1,5-Dicyanopentane 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: 93.0%

1,5-dibromo-pentane (111-24-0) + potassium cyanide (151-50-8) → pimelonitrile (646-20-8)

Guidance literature:

With water; Aliquat 336; for 8h; Ambient temperature;

Reference yield: 38.0%

azelaic acid (123-99-9,26776-28-3) → pimelonitrile (646-20-8)

Guidance literature:

With trifluoroacetic acid; trifluoroacetic anhydride; sodium nitrite; at 20 ℃;

Reference yield:

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + sodium amide + 1,3-dibromo-propane (109-64-8) + acetonitrile (75-05-8,26809-02-9) → pent-4-enoic acid (591-80-0) + 5-bromopentan-1-nitrile (5414-21-1) + pimelonitrile (646-20-8)

Guidance literature:

upstream raw materials:

1,5-dibromo-pentane

potassium cyanide

heptanedioic acid

1,5-diiodopentane

Downstream raw materials:

N,N'-Diisopropyl-1,7-heptandiimin

2-methyl-2-(((1S)-1-phenylethyl)amino)propanenitrile

C₁₆H₂₁N₃

trifluoromethanesulfonic acid 2-cyano-1-cyclohexen-1-yl ester

Refernces

• 1、 Takeuchi, Yoshio,Nagata, Kazuhiro,Koizumi, Toru. "The First Versatile and Practical Building Blocks Equivalent to the Synthon of Monofluoromethylene Dicarbanion". . p. 5061 - 5063. Retrieved 2007/10/02.
• 2、 Jones, Sharon A.,Prementine, Glenn S.,Tirrell, David A.. "Model Copolymerization Reactions. Direct Observation of a"Penultimate Effect" in a Model Styrene-Acrylonitrile Copolymerization". . p. 5275 - 5276. Retrieved 2007/10/02.