4H-1,3,5-Dioxazocine-7-carboxaldehyde, 5,8-dihydro-6-phenyl-

Base Information

• Chemical Name: 4H-1,3,5-Dioxazocine-7-carboxaldehyde, 5,8-dihydro-6-phenyl-
• CAS No.: 92897-90-0
• Molecular Formula: C₁₂H₁₃NO₃
• Molecular Weight: 219.24
• Mol file: 92897-90-0.mol

Synonyms:6-phenyl-7-formyl-2,4,5,8-tetrahydro-1,3-dioxa-5-azocine;4H-1,3,5-Dioxazocine-7-carboxaldehyde,5,8-dihydro-6-phenyl;

Chemical Property of 4H-1,3,5-Dioxazocine-7-carboxaldehyde, 5,8-dihydro-6-phenyl-

Chemical Property:

• Melting Point: 168-171 °C
• Boiling Point: 400.5±45.0 °C(Predicted)
• PSA: 47.56000
• Density: 1.217±0.06 g/cm3(Predicted)
• LogP: 1.47680

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4H-1,3,5-Dioxazocine-7-carboxaldehyde, 5,8-dihydro-6-phenyl-

There total 4 articles about 4H-1,3,5-Dioxazocine-7-carboxaldehyde, 5,8-dihydro-6-phenyl- 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: 88.0%

8-phenyl-3,5,10-trioxa-9-azabicyclo<5,3,0>-dec-8-ene (92897-87-5,122664-89-5) → 6-phenyl-7-formyl-2,4,5,8-tetrahydro-1,3-dioxa-5-azocine (92897-90-0)

Guidance literature:

In acetonitrile; Irradiation;

DOI:10.1016/S0040-4039(01)81276-4

Reference yield:

benzohydroximoyl chloride (698-16-8) → 6-phenyl-7-formyl-2,4,5,8-tetrahydro-1,3-dioxa-5-azocine (92897-90-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 54 percent / triethylamine / diethyl ether / 1. 0-5 deg C, 1 h; 2. room temperature

2: 70 percent / acetonitrile / 5 h / Irradiation

With triethylamine; In diethyl ether; acetonitrile;

Reference yield:

benzonitrile oxide (873-67-6) → 6-phenyl-7-formyl-2,4,5,8-tetrahydro-1,3-dioxa-5-azocine (92897-90-0)

Guidance literature:

Multi-step reaction with 2 steps

2: methanol / 15 °C / Irradiation

In methanol;

upstream raw materials:

3-Phenyl-3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d]isoxazole

8-phenyl-3,5,10-trioxa-9-azabicyclo<5,3,0>-dec-8-ene

benzonitrile oxide

benzohydroximoyl chloride

Downstream raw materials:

3-tert-Butyl-6-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-carbaldehyde