Mono-N-demethyladinazolam

Base Information

• Chemical Name: Mono-N-demethyladinazolam
• CAS No.: 37115-33-6
• Molecular Formula: C18H16 Cl N5
• Molecular Weight: 337.80614
• UNII: NYA2I3DDW4
• DSSTox Substance ID: DTXSID00190612
• Nikkaji Number: J367.107K
• Wikidata: Q27285105
• ChEMBL ID: CHEMBL436197
• Mol file: 37115-33-6.mol

Synonyms:mono-N-demethyladinazolam;mono-N-demethyladinazolam mesylate;mono-N-desmethyladin azolam;N-desmethyladinazolam;N-desmethyladinazolam mesylate;N-desmethyladinozolam;U 42352;U-42352

Chemical Property of Mono-N-demethyladinazolam

Chemical Property:

• Vapor Pressure: 1.84E-11mmHg at 25°C
• Boiling Point: 533.6°Cat760mmHg
• Flash Point: 276.5°C
• PSA: 55.10000
• Density: 1.37g/cm³
• LogP: 2.81760
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 337.1094232
• Heavy Atom Count: 24
• Complexity: 464

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4

Technology Process of Mono-N-demethyladinazolam

There total 5 articles about Mono-N-demethyladinazolam 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: 61.6%

8-chloro-1-(chloromethyl)-6-phenyl-4H-s-triazolo<4,3-a><1,4>benzodiazepine (39479-72-6) + methylamine (74-89-5) → N-Demethyladinazolam (37115-33-6)

Guidance literature:

With potassium iodide; In tetrahydrofuran; methanol; for 18h; Ambient temperature;

DOI:10.1021/jm00178a009

Reference yield:

Chloro-acetic acid N'-(7-chloro-5-phenyl-3H-benzo[e][1,4]diazepin-2-yl)-hydrazide → N-Demethyladinazolam (37115-33-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / 0.33 h / Heating

2: 61.6 percent / KI / tetrahydrofuran; methanol / 18 h / Ambient temperature

With potassium iodide; In tetrahydrofuran; methanol; acetic acid;

DOI:10.1021/jm00178a009

Reference yield:

7-chloro-2-hydrazino-5-phenyl-3H-1,4-benzodiazepine (18091-89-9,112393-62-1) → N-Demethyladinazolam (37115-33-6)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrahydrofuran / 1.58 h / 0 - 20 °C

2: acetic acid / 0.33 h / Heating

3: 61.6 percent / KI / tetrahydrofuran; methanol / 18 h / Ambient temperature

With potassium iodide; In tetrahydrofuran; methanol; acetic acid;

DOI:10.1021/jm00178a009

upstream raw materials:

8-chloro-1-(chloromethyl)-6-phenyl-4H-s-triazolo<4,3-a><1,4>benzodiazepine

methylamine

adinazolam

7-chloro-2-hydrazino-5-phenyl-3H-1,4-benzodiazepine

Downstream raw materials:

N,N-Didemethyladinazolam

Refernces

• 1、 Hester Jr.,Rudzik,Von Voigtlander. "1-(Aminoalkyl)-6-aryl;-4H-s-triazole[4,3-a][1,4]benzodiazepines with antianxiety and antidepressant activity". . p. 392 - 402. Retrieved 2007/10/02.