Nitrazolam

Base Information

• Chemical Name: Nitrazolam
• CAS No.: 28910-99-8
• Molecular Formula: C17H13N5O2
• Molecular Weight: 319.323
• UNII: K499DBB308
• DSSTox Substance ID: DTXSID401045827
• Metabolomics Workbench ID: 155055
• Wikidata: Q25100996
• Wikipedia: Nitrazolam
• Mol file: 28910-99-8.mol

Synonyms:Nitrazolam;28910-99-8;K499DBB308;1-methyl-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;UNII-K499DBB308;4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 1-methyl-8-nitro-6-phenyl-;1-Methyl-8-nitro-6-phenyl-4H-S-triazolo(4,3-a)(1,4)benzodiazepine;4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 1-methyl-8-nitro-6-phenyl-;Nitrazolam (1.0 mg/mL in Methanol);1-Methyl-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;4H-s-Triazolo[4,3-a][1,4]benzodiazepine, 1-methyl-8-nitro-6-phenyl- (8CI);1-Methyl-8-nitro-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine;SCHEMBL7324713;NITRAZOLAM [NFLIS-DRUG];DTXSID401045827;DB14717;NS00101015;Q27281940;1-METHYL-8-NITRO-6-PHENYL-4H-(1,2,4)TRIAZOLO(4,3-A) (1,4)BENZODIAZEPINE

Chemical Property of Nitrazolam

Chemical Property:

• Melting Point: 231.5 - 232.5 °C
• PSA: 88.89000
• LogP: 2.79370
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 319.10692467
• Heavy Atom Count: 24
• Complexity: 514

Purity/Quality:

99%, ^*data from raw suppliers

Nitrazolam ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=CC=C4
• Description: Nitrazolam is classified as a novel benzodiazepine, although its synthesis and activity have been previously described in the literature. Benzodiazepines are central nervous system depressants. Novel benzodiazepines, often pirated from early drug discovery or pharmaceutical studies, have appeared on the novel and illicit drug markets in recent years. These substances have caused adverse events, including deaths, as described in the literature. Nitrazolam is structurally similar to traditional benzodiazepines nitrazepam and alprazolam, Schedule IV substances in the United States, as well as the novel benzodiazepines flunitrazolam and clonazelam. ?

Technology Process of Nitrazolam

There total 2 articles about Nitrazolam 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:

7-nitro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione (35628-44-5) + butan-1-ol (71-36-3) → 1-methyl-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine (28910-99-8)

Guidance literature:

In water;

Reference yield:

→ 1-methyl-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine (28910-99-8)

Guidance literature:

Acethydrazid,7-Nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-thion(21);

DOI:10.1021/jm00293a015

upstream raw materials:

7-nitro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione

butan-1-ol

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