Penta-1,3-diene

Base Information

• Chemical Name: Penta-1,3-diene
• CAS No.: 504-60-9
• Molecular Formula: C5H8
• Molecular Weight: 68.1185
• European Community (EC) Number: 207-995-2
• DSSTox Substance ID: DTXSID3027160
• Mol file: 504-60-9.mol

Synonyms:Penta-1,3-diene;CH2=CHCH=CHCH3;CIS-1,3-PENTADIENE (STABILIZED WITH TBC);DTXSID3027160;FT-0606738;FT-0608023;D91991;T71862

Chemical Property of Penta-1,3-diene

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 6.56 psi ( 20 °C)
• Melting Point: -87 °C(lit.)
• Refractive Index: n20/D 1.433(lit.)
• Boiling Point: 44.1 °C at 760 mmHg
• Flash Point: <−30 °F
• 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

Purity/Quality:

99.9% ^*data from raw suppliers

1,3-PENTADIENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 11-65
• Safety Statements: 16-23-26-36-62-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC=C

Technology Process of Penta-1,3-diene

There total 160 articles about Penta-1,3-diene 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: 99.0%

pentane-1,3-diol (1825-14-5,3950-21-8,36402-52-5,42075-32-1,72345-23-4,625-69-4) → penta-1,3-diene (504-60-9,17410-45-6,25212-15-1,64940-84-7)

Guidance literature:

With hydrogen bromide; tetrabutyl phosphonium bromide; at 200 ℃; for 0.25h; Inert atmosphere;

DOI:10.1021/acscatal.7b01765

Reference yield: 76.0%

1,3-pentanediol (3174-67-2) → penta-1,3-diene (504-60-9,17410-45-6,25212-15-1,64940-84-7)

Guidance literature:

With H₃SiW₁₂O₄₀/SBA; In dichloromethane; at 300 ℃; Temperature; Reagent/catalyst;

Reference yield: 76.0%

1,4-Pentanediol (626-95-9) → penta-1,3-diene (504-60-9,17410-45-6,25212-15-1,64940-84-7)

Guidance literature:

With Ag/Pr/Zr-Si; at 460 - 600 ℃; Reagent/catalyst; Temperature; Inert atmosphere;

upstream raw materials:

piperidine

2-methyltetrahydrofuran

propan-1-ol

ethanol

Downstream raw materials:

3-methyl-Δ⁴-tetrahydrophthalic anhydride

6-methyl-cyclohexa-1,4-dienecarbaldehyde

(+/-)-3c-methyl-cyclohex-4-ene-1r,2c-dicarboxylic acid dimethyl ester

1-nitro-4-penta-1,3ξ-dien-ξ-yl-benzene

Refernces

• 1、 -. "Synthesis method of pentanediol, and synthesis method for preparing biomass-based pentadiene through conversion of levulinic acid and derivatives of levulinic acid". Paragraph 0157; 0161-0165; 0170; 0174-0177; 0178; 0182-0185. . Retrieved 2021/04/07.
• 2、 Feng, Ruilin,Qi, Yanlong,Liu, Shijun,Cui, Long,Dai, Quanquan,Bai, Chenxi. "An In-Situ Self-regeneration Catalyst for the Production of Renewable Penta-1,3-diene". supporting information. p. 9495 - 9498. Retrieved 2021/05/27.