Pyridine, 4-(3-cyclohexen-1-yl)-

Base Information

• Chemical Name: Pyridine, 4-(3-cyclohexen-1-yl)-
• CAS No.: 70644-46-1
• Molecular Formula: C11H13 N
• Molecular Weight: 159.231
• European Community (EC) Number: 274-715-3
• DSSTox Substance ID: DTXSID10871460
• Nikkaji Number: J288.743F
• Mol file: 70644-46-1.mol

Synonyms:4-(3-cyclohexen-1-yl)pyridine

Chemical Property of Pyridine, 4-(3-cyclohexen-1-yl)-

Chemical Property:

• Vapor Pressure: 0.126mmHg at 25°C
• Melting Point: 22.1°C
• Refractive Index: n20/D 1.548(lit.)
• Boiling Point: 140-141 °C/20 mmHg(lit.)
• Flash Point: 113 °C
• PSA: 12.89000
• Density: 1.021 g/mL at 25 °C(lit.)
• LogP: 2.90530
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 159.104799419
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CC=C1)C2=CC=NC=C2

Technology Process of Pyridine, 4-(3-cyclohexen-1-yl)-

There total 2 articles about Pyridine, 4-(3-cyclohexen-1-yl)- 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: 90.0%

4-vinylpyridine (100-43-6,329041-72-7) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 4-(3-cyclohexen-1-yl)pyridine (70644-46-1)

Guidance literature:

With zirconocene dichloride; In benzene; at 150 ℃; for 4h;

DOI:10.1007/BF00698950

Reference yield:

4-vinylpyridine (100-43-6,329041-72-7) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 4-(3-cyclohexen-1-yl)pyridine (70644-46-1) + ((1E,4E)-4-Deca-1,4,9-trienyl)-pyridine

Guidance literature:

With bis(acetylacetonate)nickel(II); triethylaluminum; triphenylphosphine; In toluene; at 150 ℃; for 6h; Yield given. Yields of byproduct given;

DOI:10.1007/BF00698950

Reference yield: 75.0%

4-(3-cyclohexen-1-yl)pyridine (70644-46-1) → (1'R*,3'S*,4'S*)-4-(3',4'-dihydroxycyclohexyl)pyridine

Guidance literature:

With perfluoro-cis-2-n-hexyl-3-n-pentyloxaziridine; HCFC-225ca,cb; In trifluoroacetic acid; at 0 ℃; for 0.5h;

DOI:10.1016/S0040-4020(98)00417-7

upstream raw materials:

4-vinylpyridine

buta-1,3-diene

Downstream raw materials:

4-(cyclohex-3-en-yl-)pyridine N-oxide

3-(pyridin-4-yl)cyclohexan-1-one

4-(pyridin-4-yl)-cyclohexanone

trans-PtCl₂(4-(3-cyclohexen-1-yl)pyridine)2