Brotizolam

Base Information

• Chemical Name: Brotizolam
• CAS No.: 57801-81-7
• Molecular Formula: C15H10 Br Cl N4 S
• Molecular Weight: 393.694
• European Community (EC) Number: 260-964-5
• UNII: 5XZM1R3DKF
• DSSTox Substance ID: DTXSID0022692
• Nikkaji Number: J31.878G
• Wikipedia: Brotizolam
• Wikidata: Q850074
• NCI Thesaurus Code: C87057
• Metabolomics Workbench ID: 152089
• ChEMBL ID: CHEMBL32479
• Mol file: 57801-81-7.mol

Synonyms:brotizolam;Lendorm;Lendormin;Lindormin;Sintonal;We 941

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

Chemical Property of Brotizolam

Chemical Property:

• Vapor Pressure: 1.25E-12mmHg at 25°C
• Melting Point: 204-206?C
• Boiling Point: 561.3°Cat760mmHg
• PKA: 2.01±0.40(Predicted)
• Flash Point: 293.3°C
• PSA: 71.31000
• Density: 1.78g/cm³
• LogP: 3.83970
• Storage Temp.: -20°C Freezer
• Solubility.: Practically insoluble in water, sparingly soluble or slightly soluble in methanol, slightly soluble in ethanol (96 per cent).
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 391.94981
• Heavy Atom Count: 22
• Complexity: 465

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl
• Recent ClinicalTrials: Pharmacovigilance in Gerontopsychiatric Patients
• Recent EU Clinical Trials: Establish limits for fitness to drive with prolonged use of ICADTS class III medication
• Recent NIPH Clinical Trials: The effects of Suvorexant, a novel orexin receptor antagonist, on physical and cognitive functions after nocturnal forced-awakening
• Description: Brotizolam is a hypnotic/sedative approximately 60-100 times more potent than flurazepam. As with other short-acting, annulated benzodiazepines (e.g., triazolam), cited advantages include lack of adverse effects on sleep and performance after arousal.
• Uses: A hypnotic and a sedative, also used in veterinary medicine as an appetite stimulant
• Therapeutic Function: Psychotropic

Technology Process of Brotizolam

There total 3 articles about Brotizolam 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:

2-bromo-4-(2-chloro-phenyl)-9-methyl-5,6-dihydro-4H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine (62608-11-1) → brotizolam (57801-81-7)

Guidance literature:

With potassium permanganate; In acetone; Ambient temperature;

Reference yield:

4-{5-bromo-3-[bromo-(2-chloro-phenyl)-methyl]-thiophen-2-yl}-3-chloromethyl-5-methyl-4H-[1,2,4]triazole (62551-57-9,68296-06-0,68296-07-1) → brotizolam (57801-81-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₃ / methanol

2: KMnO₄ / acetone / Ambient temperature

With potassium permanganate; ammonia; In methanol; acetone;

Reference yield:

→ brotizolam (57801-81-7)

Guidance literature:

6-(o-Chlorphenyl)-1-methyl-4H-s-triazolo-<3,4-c>-thieno-<2,3-e>-1,4-diazepin-8-carbonsaeure: AgNO3/KOH/H2O, Br2/CCl4;

upstream raw materials:

2-bromo-4-(2-chloro-phenyl)-9-methyl-5,6-dihydro-4H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

4-{5-bromo-3-[bromo-(2-chloro-phenyl)-methyl]-thiophen-2-yl}-3-chloromethyl-5-methyl-4H-[1,2,4]triazole

Downstream raw materials:

4-(2-chlorophenyl)-2-(3-hydroxypropyn-1-yl)-9-methyl-6H-thieno[3,2-f][2,4]triazolo[4,3-a][1,4]diazepine

2-Bromo-4-(2-chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulene; hydrochloride

5-bromo-2-(3-aminomethyl-5-methyl-4H-<1,2,4>triazolo-4-yl)thieno-3-yl 2-chlorophenyl ketone hydrochloride

2-(5-methyl-4H-1,2,4-triazol-3-yl)methylamino-3-(2-chlorobenzoyl)-5-bromothiophene

Refernces