Methylenecyclopropene

Base Information

• Chemical Name: Methylenecyclopropene
• CAS No.: 4095-06-1
• Molecular Formula: C4H4
• Molecular Weight: 52.0758
• UNII: CA6K4MSR8T
• DSSTox Substance ID: DTXSID40193945
• Nikkaji Number: J331.874E
• Wikipedia: Methylenecyclopropene
• Wikidata: Q751796
• Mol file: 4095-06-1.mol

Synonyms:Methylenecyclopropene;4095-06-1;3-Methylenecyclopropene;CA6K4MSR8T;Triafulvene;Cyclopropene, methylene-;UNII-CA6K4MSR8T;DTXSID40193945;Q751796

Chemical Property of Methylenecyclopropene

Chemical Property:

• Vapor Pressure: 734mmHg at 25°C
• Boiling Point: 26°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.82g/cm³
• LogP: 1.11240
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 52.0313001276
• Heavy Atom Count: 4
• Complexity: 60.1

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C1C=C1

Technology Process of Methylenecyclopropene

There total 3 articles about Methylenecyclopropene 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:

2-diazo-1-(2-cyclopropen-1-yl)ethanone (94923-08-7) → 3-buten-1-yne (689-97-4) + 1,3-cyclobutadiene (1120-53-2) + Methylenecyclopropene (4095-06-1) + acetylene (74-86-2,25067-58-7)

Guidance literature:

at 450 ℃; bei 1E-6 Torr;

DOI:10.1016/S0040-4039(01)91402-9

Reference yield:

prop-1-yne (74-99-7) → 3-buten-1-yne (689-97-4) + Methylenecyclopropene (4095-06-1)

Guidance literature:

With pyrographite; In gaseous matrix; Mechanism; Irradiation;

DOI:10.1063/1.472677

Reference yield:

acetylene (74-86-2,25067-58-7) → 3-buten-1-yne (689-97-4) + Methylenecyclopropene (4095-06-1)

Guidance literature:

at 28.9 ℃; under 0.3 Torr; Rate constant; Thermodynamic data; Product distribution; Irradiation; mechanism; selective ion flow tube (SIFT) experiments;

DOI:10.1021/j100298a033

upstream raw materials:

2-diazo-1-(2-cyclopropen-1-yl)ethanone

acetylene

prop-1-yne

Refernces

• 1、 Knight, J. S.,Freeman, C. G.,McEwan, M. J.,Anicich, V. G.,Huntress, W. T.. "A Flow Tube Study of Ion-Molecule Reactions of Acetylene". . p. 3898 - 3902. Retrieved 2007/10/02.