5-Methyl-1,3-hexadiene

Base Information

• Chemical Name: 5-Methyl-1,3-hexadiene
• CAS No.: 32763-70-5
• Molecular Formula: C7H12
• Molecular Weight: 96.1723
• Hs Code.: 2901299090
• Nikkaji Number: J1.094.997A,J798.040J
• Mol file: 32763-70-5.mol

Synonyms:5-METHYL-1,3-HEXADIENE;(3E)-5-methylhexa-1,3-diene;2783-10-0;trans-5-Methyl-1,3-hexadiene;32763-70-5;ghl.PD_Mitscher_leg0.1227;(E)-5-methylhexa-1,3-diene;(E)-5-Methyl-1,3-hexadiene;(E)-(CH3)2CHCH=CHCH=CH2;AKOS006285917

Chemical Property of 5-Methyl-1,3-hexadiene

Chemical Property:

• Vapor Pressure: 52.9mmHg at 25°C
• Boiling Point: 95°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.722g/cm³
• LogP: 2.38460
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 96.093900383
• Heavy Atom Count: 7
• Complexity: 68.1

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C=CC=C
• Isomeric SMILES: CC(C)/C=C/C=C

Technology Process of 5-Methyl-1,3-hexadiene

There total 2 articles about 5-Methyl-1,3-hexadiene 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: 80.0%

(1S,3S,7R)-3-Isopropyl-4-thia-tricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide (93469-33-1) → (E)-5-methyl-1,3-hexendiene (32763-70-5) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8)

Guidance literature:

at 650 ℃; under 0.01 Torr;

Reference yield: 35.0%

2-Methyl-4-hexen-3-ol (4798-60-1) → 2-methylhexa-2,4-diene (28823-41-8) + (E)-5-methyl-1,3-hexendiene (32763-70-5)

Guidance literature:

With water; hydrogen bromide;

Reference yield:

(E)-5-methyl-1,3-hexendiene (32763-70-5) → Isopropyl-3-cyclohexene-1-carboxylic acid

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / benzene / 18 h / Ambient temperature

2: aq. KOH / methanol / 5 h / Heating

With potassium hydroxide; aluminium trichloride; In methanol; benzene;

DOI:10.1080/00021369.1980.10863937

upstream raw materials:

(1S,3S,7R)-3-Isopropyl-4-thia-tricyclo[5.2.1.0^2,6]dec-8-ene 4,4-dioxide

2-Methyl-4-hexen-3-ol

Downstream raw materials:

Methyl trans-2-isopropyl-3-cyclohexene-1-carboxylate

Methyl cis-2-isopropyl-3-cyclohexene-1-carboxylate

Refernces

• 1、 Viktorov,Zubritskii. "Catalytic Hydromagnesation of 1,3-Alkadienes". . p. 1706 - 1711. Retrieved 2007/10/03.