3-Dehydroxy-3-oxo-4,5-dihydro OxazepaM

Base Information

• Chemical Name: 3-Dehydroxy-3-oxo-4,5-dihydro OxazepaM
• CAS No.: 19554-95-1
• Molecular Formula: C₁₅H₁₁ClN₂O₂
• Molecular Weight: 286.718
• Hs Code.: 2933910000
• UNII: G2X40KX8CK
• Wikidata: Q27278663
• Mol file: 19554-95-1.mol

Synonyms:7-chloro-5-phenyl-1H,4H,5H-benzo[f]1,4-diazaperhydroepine-2,3-dione;7-Chlor-5-phenyl-4,5-dihydro-2H-benzo-diazepin-2,3-(1H)-dion;7-chloro-5-phenyl-4,5-dihydro-2H-benzodiazepine-2,3-(1H)-dione;7-chloro-4,5-dihydro-5-phenyl-1H-1,4-Benzodiazepine-2,3-dione;7-chloro-5-phenyl-4,5-dihydro-1H-benzo[e][1,4]diazepine-2,3-dione;7-Chlor-2,3-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin;7-Chlor-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2,3-dion;3-Dehydroxy-3-oxo-4,5-dihydro Oxazepam;

Chemical Property of 3-Dehydroxy-3-oxo-4,5-dihydro OxazepaM

Chemical Property:

• Melting Point: 165-168 °C
• PKA: 9.41±0.40(Predicted)
• PSA: 58.20000
• Density: 1.332±0.06 g/cm3(Predicted)
• LogP: 2.96450
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 286.0509053
• Heavy Atom Count: 20
• Complexity: 395

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)NC(=O)C(=O)N2
• Uses: A degradation product of Oxazepam (O845700). Controlled Substance.

Technology Process of 3-Dehydroxy-3-oxo-4,5-dihydro OxazepaM

There total 2 articles about 3-Dehydroxy-3-oxo-4,5-dihydro OxazepaM 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:

oxazepam (604-75-1) → <3-2H>oxazepam + 7-chloro-5-phenyl-4,5-dihydro-2H-benzodiazepine-2,3-(1H)-dione (19554-95-1)

Guidance literature:

With deuteriated sodium hydroxide; In deuteromethanol; at 50 ℃; for 16h; Mechanism; var. temp.; var. solvents; also thermolysis;

DOI:10.1002/jlcr.2580360907

Reference yield:

→ 7-chloro-5-phenyl-4,5-dihydro-2H-benzodiazepine-2,3-(1H)-dione (19554-95-1)

Guidance literature:

nach Bell, Childress, J. Org. Chemistry 27 <1962> 1691;

Reference yield: 26.0%

7-chloro-5-phenyl-4,5-dihydro-2H-benzodiazepine-2,3-(1H)-dione (19554-95-1) → 2-amino-5-chlorobenzhydrylamine (1824-70-0)

Guidance literature:

With hydrogenchloride; for 4h; Heating;

DOI:10.1002/ardp.19953280616

upstream raw materials:

oxazepam

Downstream raw materials:

2-amino-5-chlorobenzhydrylamine

Refernces