Oxazepam-d5

Base Information

• Chemical Name: Oxazepam-d5
• CAS No.: 65854-78-6
• Molecular Formula: C₁₅H₁₁ClN₂O₂
• Molecular Weight: 291.678
• European Community (EC) Number: 689-621-1
• DSSTox Substance ID: DTXSID80574138
• Mol file: 65854-78-6.mol

Synonyms:Oxazepam-d5;65854-78-6;7-chloro-3-hydroxy-5-(2,3,4,5,6-pentadeuteriophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;2H-1,4-Benzodiazepin-2-one,7-chloro-1,3-dihydro-3-hydroxy-5-(phenyl-d5)-;2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-(phenyl-d5)- (9CI);Oxazepam-D5;Oxazepam-D5 (phenyl D5);DTXSID80574138;ADIMAYPTOBDMTL-RALIUCGRSA-N;Oxazepam-D5 0.1 mg/ml in Methanol;Oxazepam-D5 1.0 mg/ml in Methanol;Oxazepam-D5, 1mg/ml in Acetonitrile;Oxazepam-d5 (1mg/ml in Acetonitrile);Oxazepam-D5, 0.1mg/ml in Acetonitrile;2H-1,4-Benzodiazepin-2-one,7-chloro-1,3-dihydro-3-hydroxy-5-(phenyl-d5)-(9ci);7-chloro-3-hydroxy-5-[(2,3,4,5,6-?H?)phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-2-one

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Oxazepam-d5

Chemical Property:

• Flash Point: 11 °C
• PSA: 61.69000
• LogP: 2.02150
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 291.0822890
• Heavy Atom Count: 20
• Complexity: 407

Purity/Quality:

Safty Information:

• Pictogram(s): Xn,T,F
• Hazard Codes: Xn,T,F
• Statements: 40-39/23/24/25-23/24/25-11
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)[2H])[2H]
• Description: Oxazepam-d5 is intended for use as an internal standard for the quantification of oxazepam by GC- or LC-MS. Oxazepam-d5 is an analytical reference material that is structurally categorized as a benzodiazepine. Oxazepam is an active metabolite of diazepam , prazepam, and temazepam that can positively modulate GABAA receptors, which results in inhibitory effects in the central nervous system. This product is intended for forensic and research purposes.
• Uses: Labelled Oxazepam. Anxiolytic; muscle relaxant (skeletal); anticonvulsant; ligand for the GABAA receptor benzodiazepine modulatory site. Controlled substance (depressant).

Technology Process of Oxazepam-d5

There total 5 articles about Oxazepam-d5 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: 80.0%

3-acetoxy-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-one-D5 → oxazepam-D5 (65854-78-6)

Guidance literature:

With water; potassium hydroxide; In ethanol; at 20 ℃; for 6h; Inert atmosphere;

Reference yield:

2,3,4,5,6-pentadeuteriumbenzeneboronic acid (215527-70-1) → oxazepam-D5 (65854-78-6)

Guidance literature:

Multi-step reaction with 5 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; 4,4'-dimethyl-2,2'-bipyridines; trifluoroacetic acid / tetrahydrofuran; water / 24 h / 90 °C

2: 1,4-dioxane / 12 h / 20 °C / Inert atmosphere

3: hexamethylenetetramine; ammonium chloride / methanol / 24 h / Inert atmosphere; Reflux

4: potassium iodide; ammonium persulfate / 8 h / 100 °C / Inert atmosphere

5: potassium hydroxide; water / ethanol / 6 h / 20 °C / Inert atmosphere

With ammonium persulfate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; 4,4'-dimethyl-2,2'-bipyridines; hexamethylenetetramine; water; ammonium chloride; trifluoroacetic acid; potassium iodide; potassium hydroxide; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; water;

Reference yield:

5-chloro-2-aminobenzophenone (719-59-5) → oxazepam-D5 (65854-78-6)

Guidance literature:

Multi-step reaction with 5 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; 4,4'-dimethyl-2,2'-bipyridines; trifluoroacetic acid / tetrahydrofuran; water / 24 h / 90 °C

2: 1,4-dioxane / 12 h / 20 °C / Inert atmosphere

3: hexamethylenetetramine; ammonium chloride / methanol / 24 h / Inert atmosphere; Reflux

4: potassium iodide; ammonium persulfate / 8 h / 100 °C / Inert atmosphere

5: potassium hydroxide; water / ethanol / 6 h / 20 °C / Inert atmosphere

With ammonium persulfate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; 4,4'-dimethyl-2,2'-bipyridines; hexamethylenetetramine; water; ammonium chloride; trifluoroacetic acid; potassium iodide; potassium hydroxide; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; water;

upstream raw materials:

5-chloro-2-aminobenzophenone

2,3,4,5,6-pentadeuteriumbenzeneboronic acid

2-amino-5-chlorobenzophenone-2',3',4',5',6'-d5

Refernces