4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl-

Base Information

• Chemical Name: 4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl-
• CAS No.: 7500-00-7
• Molecular Formula: C₁₁H₁₈N*I
• Molecular Weight: 291.175
• Nikkaji Number: J2.677.771B
• Mol file: 7500-00-7.mol

Synonyms:NSC 400080;4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl-;7500-00-7;NSC400080;SCHEMBL12393355

Chemical Property of 4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 164.143924578
• Heavy Atom Count: 12
• Complexity: 219

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CC2C3CC(C2C1)C=C3)C

Technology Process of 4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl-

There total 2 articles about 4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl- 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:

(1R,2S,6R,7S)-4-methyl-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione (3526-89-4,6623-18-3,56420-87-2) → 2,2-dimethyl-(3ac,7ac)-1,3,3a,4,7,7a-hexahydro-4r,7c-methano-isoindolium; iodide (7500-00-7)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium alanate; diethyl ether; benzene

2: ethanol

With lithium aluminium tetrahydride; diethyl ether; ethanol; benzene;

DOI:10.1021/ja01608a027

Reference yield:

(1R,2S,6R,7S)-4-methyl-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene (6319-14-8) + methyl iodide (74-88-4) → 2,2-dimethyl-(3ac,7ac)-1,3,3a,4,7,7a-hexahydro-4r,7c-methano-isoindolium; iodide (7500-00-7)

Guidance literature:

With ethanol;

DOI:10.1021/ja01608a027

upstream raw materials:

(1R,2S,6R,7S)-4-methyl-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene

methyl iodide

(1R,2S,6R,7S)-4-methyl-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione