4-(3-tert-Butylamino-2-hydroxypropoxy)benzimidazol-2-one

Base Information

• Chemical Name: 4-(3-tert-Butylamino-2-hydroxypropoxy)benzimidazol-2-one
• CAS No.: 81047-99-6
• Molecular Formula: C₁₄H₂₁N₃O₃
• Molecular Weight: 279.339
• UNII: R89UMZ82MJ
• DSSTox Substance ID: DTXSID901001733
• Nikkaji Number: J22.078G
• Wikidata: Q27075889
• Pharos Ligand ID: 8VFHYPX498W2
• Metabolomics Workbench ID: 66344
• ChEMBL ID: CHEMBL420746
• Mol file: 81047-99-6.mol

Synonyms:4-(3-tert-butylamino-2-hydroxypropoxy)benzimidazol-2-one;4-(3-tert-butylamino-2-hydroxypropoxy)benzimidazol-2-one hydrochloride, (+-)-isomer;4-(3-tert-butylamino-2-hydroxypropoxy)benzimidazol-2-one, (+-)-isomer;4-(3-tert-butylamino-2-hydroxypropoxy)benzimidazol-2-one, (R)-isomer;4-(3-tert-butylamino-2-hydroxypropoxy)benzimidazol-2-one, (S)-isomer;4-(3-tert-butylamino-2-hydroxypropoxy)benzimidazol-2-one, 2-(11)C-labeled;CGP 12177;CGP 12177A;CGP-12177;CGP-12177A;TBHPBO

Chemical Property of 4-(3-tert-Butylamino-2-hydroxypropoxy)benzimidazol-2-one

Chemical Property:

• Vapor Pressure: 2.48E-06mmHg at 25°C
• Melting Point: >256°C (dec.)
• Boiling Point: 376.3°C at 760 mmHg
• Flash Point: 181.4°C
• PSA: 90.14000
• Density: 1.179g/cm³
• LogP: 1.37490
• Storage Temp.: Store at RT
• Solubility.: DMSO: >10 mg/mL
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 279.15829154
• Heavy Atom Count: 20
• Complexity: 343

Purity/Quality:

98% ^*data from raw suppliers

CGP 12177 hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NCC(COC1=CC=CC2=C1NC(=O)N2)O

Technology Process of 4-(3-tert-Butylamino-2-hydroxypropoxy)benzimidazol-2-one

There total 1 articles about 4-(3-tert-Butylamino-2-hydroxypropoxy)benzimidazol-2-one 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:

→ 4-[3-t-butylamino-2-hydroxypropyl]benzimidazol-2-one (81047-99-6)

Guidance literature:

aus dem Propanol-Der. von Beisp. 3 A, H2, Phosgen;