1,2-Pentadiene

Base Information

• Chemical Name: 1,2-Pentadiene
• CAS No.: 591-95-7
• Molecular Formula: C5H8
• Molecular Weight: 68.1185
• European Community (EC) Number: 209-737-4
• UNII: TQ3OA4EJO9
• DSSTox Substance ID: DTXSID40870643
• Nikkaji Number: J43.499J
• Wikidata: Q19885531
• Mol file: 591-95-7.mol

Synonyms:1,2-PENTADIENE;591-95-7;Penta-1,2-diene;Ethylallene;UNII-TQ3OA4EJO9;TQ3OA4EJO9;1-Methyl-2,3-butadiene;EINECS 209-737-4;ethyl allenoate;1,2-Pentadien;CH2=C=CHCH2CH3;DTXSID40870643;MFCD00039943;P0805;T72673;Q19885531

Chemical Property of 1,2-Pentadiene

Chemical Property:

• Boiling Point: 45 °C
• PSA: 0.00000
• Density: 0.70
• LogP: 1.73750
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 68.062600255
• Heavy Atom Count: 5
• Complexity: 47.1

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCC=C=C
• General Description: 1,2-Pentadiene (also known as 1-Methyl-2,3-butadiene or Ethylallene) is an allene compound characterized by a cumulated diene structure with three contiguous carbon atoms forming two double bonds (C=C=C). It is a reactive hydrocarbon that can participate in various chemical reactions, including cycloadditions and polymerizations, due to its strained and conjugated system. The presence of the methyl and ethyl substituents influences its reactivity and physical properties, making it useful in synthetic organic chemistry. Its structure and behavior are distinct from conjugated dienes, often leading to unique reaction pathways.

Technology Process of 1,2-Pentadiene

There total 29 articles about 1,2-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:

2-bromomethyl-2-(1-bromo-propyl)-[1,3]dioxolane (20599-04-6) → 1-ethyl-4,7-dioxa-spiro[2.4]heptane (23773-18-4) + penta-1,2-diene (591-95-7)

Guidance literature:

With zinc; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 120 ℃; under 10 Torr;

Reference yield:

1-Pentyne (627-19-0) → 2-Pentyne (627-21-4) + penta-1,2-diene (591-95-7)

Guidance literature:

With potassium hydroxide; at 175 ℃;

DOI:10.1021/ja01147a118

Reference yield:

3-Chloro-1-pentyne (14035-68-8) → penta-1,2-diene (591-95-7)

Guidance literature:

With ethanol; coppered zinc;

upstream raw materials:

1-Pentyne

3-Chloro-1-pentyne

1-Penten-3-ol

methylmagnesium bromide

Downstream raw materials:

(S)-3-Pent-2-ynyl-1-phenyl-pyrrolidine-2,5-dione

6-(2,5-Dioxo-1-phenyl-pyrrolidin-3-yl)-4-ethyl-2-phenyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

(1S,5S,6S)-6-Ethyl-7-methylene-3-phenyl-3-aza-bicyclo[3.2.0]heptane-2,4-dione

(1S,5S,6R)-6-Ethyl-7-methylene-3-phenyl-3-aza-bicyclo[3.2.0]heptane-2,4-dione