Cyanopropyne

Base Information

• Chemical Name: Cyanopropyne
• CAS No.: 13752-78-8
• Molecular Formula: C4 H3 N
• Molecular Weight: 65.0745
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID60160210
• Nikkaji Number: J298.908E
• Wikidata: Q83028570
• Mol file: 13752-78-8.mol

Synonyms:Cyanopropyne;but-2-ynenitrile;13752-78-8;2-BUTYNENITRILE;2-Butynenitrile (9CI);Prop-1-yne, 1-cyano-;methylcyanoacetylene;CH3C.equiv.CCN;CH3C=CCN;DTXSID60160210;WNXDCVVDPKHWMW-UHFFFAOYSA-N;AKOS006307558;FT-0723134;F90224

Chemical Property of Cyanopropyne

Chemical Property:

• Vapor Pressure: 111mmHg at 25°C
• Melting Point: 16 °C
• Boiling Point: 74.2°Cat760mmHg
• Flash Point: °C
• PSA: 23.79000
• Density: 0.913g/cm³
• LogP: 0.53328
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 65.026549100
• Heavy Atom Count: 5
• Complexity: 112

Purity/Quality:

2-BUTYNENITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CC#N

Technology Process of Cyanopropyne

There total 16 articles about Cyanopropyne 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: 90.3%

buta-2,3-dienenitrile (1001-56-5) + 3-Chloro-3-butenenitrile (21031-46-9) → 2-butynenitrile (13752-78-8)

Guidance literature:

With sodium hydroxide;

Reference yield: 85.0%

P-toluenesulfonyl cyanide (19158-51-1) + 1-propynyltributylstannane (64099-82-7) → 2-butynenitrile (13752-78-8)

Guidance literature:

DOI:10.1002/anie.200502122

Reference yield: 44.0%

1-cyano-1-(trimethylphosphonio)prop-1-en-2-olate (86213-23-2) → 2-butynenitrile (13752-78-8) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

at 220 - 265 ℃; under 2 - 5 Torr;

upstream raw materials:

1-propynylmagnesium bromide

cyanogen chloride

tetrolic acide amide

prop-1-yne

Downstream raw materials:

(Z)-3-phenoxy-2-butenenitrile

(E)-3-phenoxy-2-butenenitrile

3-Phenylmercapto-trans-buten-⁽²⁾-saeure-nitril

3-Phenylmercapto-cis-buten-⁽²⁾-saeure-nitril