2,3-PENTADIENE

Base Information

• Chemical Name: 2,3-PENTADIENE
• CAS No.: 591-96-8
• Molecular Formula: C5H8
• Molecular Weight: 68.1185
• DSSTox Substance ID: DTXSID30207848
• Nikkaji Number: J43.497C,J87.926F,J87.927D
• Wikidata: Q19885507
• Mol file: 591-96-8.mol

Synonyms:(?à)-2,3-Pentadiene;1,3-Dimethylallene

Chemical Property of 2,3-PENTADIENE

Chemical Property:

• Vapor Pressure: 327mmHg at 25°C
• Melting Point: -125.65°C
• Refractive Index: 1.4251
• Boiling Point: 48.2°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.659g/cm³
• LogP: 1.73750
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 68.062600255
• Heavy Atom Count: 5
• Complexity: 42.9

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C=CC

Technology Process of 2,3-PENTADIENE

There total 7 articles about 2,3-PENTADIENE 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:

(Z)-3,4-dimethyl-2-pentene (4914-91-4) → propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + penta-2,3-diene (591-96-8) + 2,3-dimethylbutene (590-19-2) + 3-methyl-1,3-pentadiene (4549-74-0) + prop-1-yne (74-99-7) + isoprene (78-79-5,9003-31-0)

Guidance literature:

With oxygen; In gas; at 20 ℃; under 5 Torr; Product distribution; Mechanism; Irradiation; gas phase photolysis in the presence of oxygen; effect of the pressure;

Reference yield:

2-pentene (109-68-2) → penta-2,3-diene (591-96-8) + 2,3-dimethylbutene (590-19-2)

Guidance literature:

at 760 - 833 ℃; bei Verduennung mit Wasserdampf und einer Kontaktzeit von 0.005-0.1 sec;

Reference yield:

1,3-dimethylcyclopropene (82190-83-8) → Z-piperylene (1574-41-0,17410-45-6,25212-15-1,64940-84-7) + 1-methylbuta-1,3-diene (2004-70-8,17410-45-6,25212-15-1,64940-84-7) + 2-Pentyne (627-21-4) + penta-2,3-diene (591-96-8) + penta-1,2-diene (591-95-7) + 1-Ethylcyclopropene (34189-00-9)

Guidance literature:

at 482 ℃; under 50 Torr; other temp.; E_a, lg A;

DOI:10.1002/anie.199703811

upstream raw materials:

Dimethyl piperididophosphate

2-pentene

(Z)-3,4-dimethyl-2-pentene

1,3-dimethylcyclopropene

Downstream raw materials:

(1R,2R)-3-Eth-(Z)-ylidene-2-methyl-cyclobutanecarboxylic acid methyl ester

(1R,2R)-3-Eth-(E)-ylidene-2-methyl-cyclobutanecarboxylic acid methyl ester

(1R,2S)-3-Eth-(Z)-ylidene-2-methyl-cyclobutanecarboxylic acid methyl ester

(1R,2S)-3-Eth-(E)-ylidene-2-methyl-cyclobutanecarboxylic acid methyl ester

Refernces

• 1、 Deslauriers, Helene,Collin, Guy J.. "Isomerisation des radicaux insatures. III. Radicaux α,α,β-, α,β,γ- et α,α,γ-trimethallyles". . p. 3168 - 3173. Retrieved 2007/10/02.