4,5,6,7-tetrahydro-2,1,3-benzoxadiazole 1-oxide

Base Information

• Chemical Name: 4,5,6,7-tetrahydro-2,1,3-benzoxadiazole 1-oxide
• CAS No.: 2209-36-1
• Molecular Formula: C6H8 N2 O2
• Molecular Weight: 140.142
• Hs Code.: 2934999090
• Mol file: 2209-36-1.mol

Synonyms:Benzofurazan,4,5,6,7-tetrahydro-, 1-oxide (6CI,7CI,8CI); 3,4-Cyclohexenefuroxan;3,4-Cyclohexenofuroxan; Cyclohexenefuroxan; Tetramethylenefurazan N-oxide

Chemical Property of 4,5,6,7-tetrahydro-2,1,3-benzoxadiazole 1-oxide

Chemical Property:

• Vapor Pressure: 0.0168mmHg at 25°C
• Melting Point: 38-39 °C
• Boiling Point: 263.4°Cat760mmHg
• PKA: 4.60±0.20(Predicted)
• Flash Point: 113.1°C
• PSA: 51.49000
• Density: 1.53g/cm³
• LogP: 0.98190

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4,5,6,7-tetrahydro-2,1,3-benzoxadiazole 1-oxide

There total 4 articles about 4,5,6,7-tetrahydro-2,1,3-benzoxadiazole 1-oxide 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: 93.0%

2-nitro-cyclohexanone oxime (2209-34-9) → 4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-N-oxide (2209-36-1)

Guidance literature:

With aluminum oxide; In acetonitrile; at 60 ℃; for 1h;

DOI:10.1016/S0040-4039(00)01422-2

Reference yield: 92.0%

1,2-cyclohexanedionedioxime (492-99-9) → 4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-N-oxide (2209-36-1)

Guidance literature:

1,2-cyclohexanedionedioxime; With copper(II) perchlorate hexahydrate; In acetonitrile; at 20 ℃; for 24h;

With ammonia; In water;

DOI:10.1016/j.tetlet.2008.07.148

Reference yield:

cyclohexene (110-83-8) → 4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-N-oxide (2209-36-1)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NO, O₂, Et₂O, PE, (ii) DMF

2: polyphosphoric acid / 120 °C

With PPA;

upstream raw materials:

1,2-cyclohexanedionedioxime

2-nitro-cyclohexanone oxime

cyclohexene

Downstream raw materials:

1,2-cyclohexanedionedioxime

2,3-endo-4,5-exo-3a-(4-cyanobutyl)-3,3a,4,5-tetrahydro-2H-isoxazolo<2,3-b>isoxazole-2,3:4,5-bis(N-phenyldicarboximide)

5-((3aS,3cS,6aR,8aR)-1,3,4,6-Tetraoxo-2,5-di-p-tolyl-octahydro-7,8-dioxa-2,5,7a-triaza-dicyclopenta[a,f]pentalen-3b-yl)-pentanenitrile

5-[(3aS,3cS,6aR,8aR)-2,5-Bis-(4-chloro-phenyl)-1,3,4,6-tetraoxo-octahydro-7,8-dioxa-2,5,7a-triaza-dicyclopenta[a,f]pentalen-3b-yl]-pentanenitrile