2-Diazocyclohexanone

Base Information

• Chemical Name: 2-Diazocyclohexanone
• CAS No.: 3242-56-6
• Molecular Formula: C6H8 N2 O
• Molecular Weight: 124.142
• Hs Code.: 2927000090
• DSSTox Substance ID: DTXSID70453706
• Nikkaji Number: J80.672B
• Mol file: 3242-56-6.mol

Synonyms:2-diazocyclohexanone;3242-56-6;2-diazocyclohexan-1-one;diazocyclohexanone;a-diazocyclohexanone;2-diazo-cyclohexan-1-one;DTXSID70453706;GPNUBZPACCOTQD-UHFFFAOYSA-N;AKOS015906750;2-(-lambda5-diazynylidene)cyclohexan-1-one;EN300-7619663

Chemical Property of 2-Diazocyclohexanone

Chemical Property:

• PSA: 54.46000
• LogP: 0.88136
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 124.063662883
• Heavy Atom Count: 9
• Complexity: 180

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)C(=[N+]=[N-])C1

Technology Process of 2-Diazocyclohexanone

There total 6 articles about 2-Diazocyclohexanone 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: 95.0%

2-(hydroxymethylene)cyclohexanone (823-45-0) → 2-diazocyclohexanone (3242-56-6)

Guidance literature:

With 4-toluenesulfonyl azide; potassium carbonate; for 0.0833333h;

DOI:10.1080/00397919108020811

Reference yield: 90.0%

Cyclohexanone-2-carbaldehyde (1193-63-1) → 2-diazocyclohexanone (3242-56-6)

Guidance literature:

With 4-toluenesulfonyl azide;

DOI:10.1016/S0040-4020(01)90521-6

Reference yield: 67.0%

2-azidocyclohexan-1-one (1517-01-7) → 2-diazocyclohexanone (3242-56-6)

Guidance literature:

2-azidocyclohexan-1-one; With 3-(diphenylphosphaneyl)propanoic acid N-hydroxysuccinimide ether; In tetrahydrofuran; water; for 3h; Inert atmosphere;

With sodium hydrogencarbonate; In tetrahydrofuran; water; for 0.25h; chemoselective reaction;

upstream raw materials:

cyclohexanone

2-(hydroxymethylene)cyclohexanone

Cyclohexanone-2-carbaldehyde

2-azidocyclohexan-1-one

Downstream raw materials:

Di-n-butyl-(2-n-butyl-cyclohexen-1-yloxy)boran

1-benzoyl-3-phenyl-4-oxa-1,2-diaza-spiro[4.5]dec-2-en-6-one

1,2-Cyclohexandion-N,N-dimethoxycarbonylhydrazon

cyclopentanecarboxylic acid methylphenylamide