6-Hydroxy Buspirone

Base Information

• Chemical Name: 6-Hydroxy Buspirone
• CAS No.: 125481-61-0
• Molecular Formula: C21H31N5O3
• Molecular Weight: 401.50300
• UNII: 4PRI09E14U
• DSSTox Substance ID: DTXSID00433011
• Nikkaji Number: J3.006.306F
• Wikidata: Q27260341
• ChEMBL ID: CHEMBL1201371
• Mol file: 125481-61-0.mol

Synonyms:6-hydroxybuspirone

Chemical Property of 6-Hydroxy Buspirone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 96-99oC
• Boiling Point: 655.441oC at 760 mmHg
• Flash Point: 350.198oC
• PSA: 89.87000
• Density: 1.301g/cm3
• LogP: 0.99980
• Storage Temp.: -20°C Freezer
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 401.24268987
• Heavy Atom Count: 29
• Complexity: 581

Purity/Quality:

97% ^*data from raw suppliers

6’-HydroxyBuspirone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(C1)CC(=O)N(C(=O)C2O)CCCCN3CCN(CC3)C4=NC=CC=N4
• Uses: It is a major active metabolite of Buspirone (B689850).

Technology Process of 6-Hydroxy Buspirone

There total 2 articles about 6-Hydroxy Buspirone 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: 71.0%

BUSPIRONE (36505-84-7) → 6'-Hydroxybuspirone (125481-61-0) + 6,10-dihydroxybuspirone (658701-59-8)

Guidance literature:

With sodium hexamethyldisilazane; triethyl phosphite; In tetrahydrofuran; at -60 - 20 ℃; Large scale;

DOI:10.1021/op049918r

Reference yield:

BUSPIRONE (36505-84-7) → 6'-Hydroxybuspirone (125481-61-0)

Guidance literature:

BUSPIRONE; With sodium hexamethyldisilazane; triethyl phosphite; In tetrahydrofuran; at -70 - -10 ℃; Large scale;

With oxygen; In tetrahydrofuran; at -37 ℃; Large scale;

DOI:10.1021/op800079u

upstream raw materials:

BUSPIRONE