2-Diazoniocyclohepten-1-olate

Base Information

• Chemical Name: 2-Diazoniocyclohepten-1-olate
• CAS No.: 18202-04-5
• Molecular Formula: C7H10N2O
• Molecular Weight: 138.169
• Hs Code.: 2927000090
• DSSTox Substance ID: DTXSID10454898
• Nikkaji Number: J82.721E
• Wikidata: Q82276693
• Mol file: 18202-04-5.mol

Synonyms:2-diazoniocyclohepten-1-olate;2-diazocycloheptan-1-one;18202-04-5;2-Diazocycloheptanone;2-diazocyclohepta-none;DTXSID10454898;2-(-lambda5-diazynylidene)cycloheptan-1-one;EN300-7169478

Chemical Property of 2-Diazoniocyclohepten-1-olate

Chemical Property:

• PSA: 54.46000
• LogP: 1.27146
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 138.079312947
• Heavy Atom Count: 10
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=[N+]=[N-])C(=O)CC1

Technology Process of 2-Diazoniocyclohepten-1-olate

There total 4 articles about 2-Diazoniocyclohepten-1-olate 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: 94.0%

2-(hydroxymethylene)cycloheptanone (934-20-3) → 2-Diazacycloheptan-1-one (18202-04-5)

Guidance literature:

With 4-toluenesulfonyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 30 ℃; for 0.25h;

Reference yield: 62.0%

2-formylcycloheptanone (64799-08-2,1589-24-8) → 2-Diazacycloheptan-1-one (18202-04-5)

Guidance literature:

With polymer-supported sulfonyl azide; triethylamine; In acetonitrile; Ambient temperature;

Reference yield:

cycloheptanone (502-42-1) → 2-Diazacycloheptan-1-one (18202-04-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethoxide

2: tosyl azide

With 4-toluenesulfonyl azide; sodium ethanolate;

DOI:10.1016/S0040-4039(00)81343-X

upstream raw materials:

2-(hydroxymethylene)cycloheptanone

2-formylcycloheptanone

cycloheptanone

Downstream raw materials:

methyl cyclohexylcarboxylate

2-Cyclohepten-1-one

α-methoxycycloheptanone

cycloheptanone