Cyclopentadienyl

Base Information

• Chemical Name: Cyclopentadienyl
• CAS No.: 2143-53-5
• Molecular Formula: C5H5
• Molecular Weight: 65.0947
• Hs Code.: 2902199090
• DSSTox Substance ID: DTXSID00175702
• Nikkaji Number: J650.683F
• Wikipedia: Cyclopentadienyl_radical
• Mol file: 2143-53-5.mol

Synonyms:Cyclopentadienyl;Cyclopentadienyl radical;2143-53-5;cyclopenta-2,4-dien-1-yl;2,4-Cyclopentadienylradical;CHEBI:36769;DTXSID00175702;FT-0740331

Chemical Property of Cyclopentadienyl

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 1.31670
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 65.0391251595
• Heavy Atom Count: 5
• Complexity: 38.1

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C[CH]C=C1

Technology Process of Cyclopentadienyl

There total 26 articles about Cyclopentadienyl 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:

cyclopentadienylidene anion radical (4729-01-5) + acrylonitrile (107-13-1,25014-41-9) → 1-cyano-vinyl (15091-87-9) + 1-cyano-ethenide (36259-97-9) + cyanide(1-) (57-12-5) + cyclopenta-2,4-dienyl (2143-53-5) + cyclopentadienide (20171-65-7) + C8H6N(1-)

Guidance literature:

at 24.9 ℃; under 0.5 Torr; Rate constant; Mechanism; Product distribution; different α,β-unsaturated molecules;

DOI:10.1021/ja00539a031

Reference yield:

3,-pyridylmethyl radical (61204-14-6) → 2-ethynyl-1H-pyrrole (67237-51-8) + 3-ethynyl-1H-pyrrole (71580-43-3) + penta-1,3-diyne (4911-55-1) + propynyl radical (6401-87-2,2932-78-7) + 1,3-cyclopentadiene-1-carbonitrile (20830-58-4) + cyclopenta-1,4-diene-1-carbonitrile (20830-59-5) + cyclopenta-2,4-dienyl (2143-53-5) + cyanocyclopentadienyl radical (129836-93-7) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) + 2,4-pentadiynyl radical

Guidance literature:

at 600 ℃; under 525.053 Torr; Pyrolysis; Inert atmosphere;

DOI:10.1002/chem.201903937

Reference yield:

2-(Aminomethyl)pyridine (3731-51-9) → 2-ethynyl-1H-pyrrole (67237-51-8) + 3-ethynyl-1H-pyrrole (71580-43-3) + penta-1,3-diyne (4911-55-1) + propynyl radical (6401-87-2,2932-78-7) + 1,3-cyclopentadiene-1-carbonitrile (20830-58-4) + cyclopenta-1,4-diene-1-carbonitrile (20830-59-5) + cyclopenta-2,4-dienyl (2143-53-5) + cyanocyclopentadienyl radical (129836-93-7) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) + 2,4-pentadiynyl radical

Guidance literature:

at 600 ℃; Pyrolysis;

DOI:10.1002/chem.201903937

upstream raw materials:

phenoxy radical

5-deuteriocyclopentadiene

cyclopentadienyllithium

tert-butoxy radical

Downstream raw materials:

naphthalene

propynyl radical

cyclopenta-1,3-diene

3-vinylpropargyl radical

Refernces

• 1、 Thrush. "". . p. 155. Retrieved 1956.
• 2、 Roy, K.,Braun-Unkhoff, M.,Frank, P.,Just, Th.. "Kinetics of the Cyclopentadiene Decay and the Recombination of Cyclopentadienyl Radicals with H-Atoms: Enthalpy of Formation of the Cyclopentadienyl Radical". . p. 821 - 833. Retrieved 2001.
• 3、 Barker et al.. "". . p. 587. Retrieved 1979.
• 4、 Reusch, Engelbert,Holzmeier, Fabian,Gerlach, Marius,Fischer, Ingo,Hemberger, Patrick. "Decomposition of Picolyl Radicals at High Temperature: A Mass Selective Threshold Photoelectron Spectroscopy Study". supporting information. p. 16652 - 16659. Retrieved 2019/12/24.
• 5、 Burcat, Alexander,Dvinyaninov, Michael. "Detailed kinetics of cyclopentadiene decomposition studied in a shock tube". . p. 505 - 514. Retrieved 2007/10/03.