1,3-Pentadiene

Base Information

• Chemical Name: 1,3-Pentadiene
• CAS No.: 2004-70-8
• Molecular Formula: C5H8
• Molecular Weight: 68.1185
• European Community (EC) Number: 207-995-2,217-909-5
• ICSC Number: 1722
• NSC Number: 73901
• UN Number: 1993,3295,1010
• UNII: 00OA1GPF8R
• DSSTox Substance ID: DTXSID50858710
• Nikkaji Number: J43.494I,J6.219G
• Wikipedia: Piperylene
• Wikidata: Q126292
• Metabolomics Workbench ID: 66853
• Mol file: 2004-70-8.mol

Synonyms:1,3-pentadiene;1,3-pentadiene, (Z)-isomer;piperylene

Chemical Property of 1,3-Pentadiene

Chemical Property:

• Vapor Pressure: 380mmHg at 25°C
• Melting Point: ?87 °C(lit.)
• Refractive Index: n20/D 1.433(lit.)
• Boiling Point: 42 °C(lit.)
• Flash Point: °C
• PSA: 0.00000
• Density: 0.683 g/mL at 25 °C(lit.)
• LogP: 1.74850
• Storage Temp.: Refrigerator
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 68.062600255
• Heavy Atom Count: 5
• Complexity: 42
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98% ^*data from raw suppliers

trans-1,3-Pentadiene 90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): FXn
• Hazard Codes: F,Xn
• Statements: 11-65-36/37/38
• Safety Statements: 16-23-26-36-62

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB,Plastics & Rubber -> Other Monomers
• Canonical SMILES: CC=CC=C
• Isomeric SMILES: C/C=C/C=C
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The vapour is irritating to the eyes and skin. If swallowed the substance may cause vomiting and could result in aspiration pneumonitis. The effects may be delayed.

Technology Process of 1,3-Pentadiene

There total 97 articles about 1,3-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: 85.0%

(1S,3S,7R)-3-Methyl-4-thia-tricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide (83927-50-8,88979-80-0) → 1-methylbuta-1,3-diene (2004-70-8,17410-45-6,25212-15-1,64940-84-7) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8)

Guidance literature:

at 650 ℃; under 0.01 Torr; Title compound not separated from byproducts;

Reference yield: 48.0%

bis(2,4-pentadienyl)magnesium THF complex → 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) + 1,4-Pentadiene (591-93-5)

Guidance literature:

With acetic acid; In benzene; at 10 ℃; Product distribution; other protonolysis agents, other bis(dienyl)magnesium complex;

DOI:10.1246/bcsj.53.1089

Reference yield: 5.0%

1,4-Pentadiene (591-93-5) → 1-methylbuta-1,3-diene (2004-70-8,17410-45-6,25212-15-1,64940-84-7) + ethenylcyclopropane (693-86-7) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) + cyclopentene (142-29-0)

Guidance literature:

Product distribution; Mechanism; Plasmolysis (40 W, 3.48mmol/min, 13.56 MHz);

DOI:10.1016/S0040-4039(00)85657-9

upstream raw materials:

2-ethoxy-ethanol

(±)-(1-chloroethyl)cyclopropane

Z-piperylene

2,4-diacetoxy-pentane

Downstream raw materials:

3-methyl-4-nitro-5-phenyl-cyclohexene

3-methyl-5-nitro-4-phenyl-cyclohexene

2,6-dimethyl-cyclohex-3-enecarboxylic acid

2-methyl-2,5-dihydro-thiophene 1,1-dioxide

Refernces

DIE PHOTOCHEMISCHE UMSETZUNG VON RMn(CO)5 (R = H, C6H5, CH2C6H5) MIT 1,3-BUTADIEN UND 1,3-PENTADIEN. INSERTION VON OLEFINEN IN Mn-C-BINDUNGEN

10.1016/S0022-328X(00)98506-1

The research investigates the photochemical reactions of RMn(CO)5 complexes (where R = H, C6H5, CH2C6H5) with 1,3-butadiene and 1,3-pentadiene. The study explores how these dienes insert into the Mn-C bonds, forming various Mn(CO)3(η2-enyl) complexes. Key chemicals involved include HMn(CO)5, C6H5Mn(CO)5, and C6H5CH2Mn(CO)5 as starting materials, along with 1,3-butadiene and 1,3-pentadiene as diene reactants. The reactions are induced by irradiation at 253 K, and the resulting complexes are characterized using IR and NMR spectroscopy, as well as elemental analysis. The study also examines the stabilization of enyl ligands through substitution with donor ligands like P(CH3)3 and As(CH3)3, which allows for the isolation and characterization of different isomers of the Mn(CO)3(η2-enyl) complexes. The research provides insights into the stereochemistry and configurations of these complexes, highlighting the role of different substituents and donor ligands in influencing the stability and structure of the enyl ligands.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 2004-70-8 1,3-Pentadiene, (3E)-

Send

Send

Metric Ton KG G Pound L ML

Send

Send