(N-methyl-(11c))2-(4'-methylaminophenyl)-6-hydroxybenzothiazole

Base Information

• Chemical Name: (N-methyl-(11c))2-(4'-methylaminophenyl)-6-hydroxybenzothiazole
• CAS No.: 566170-04-5
• Deprecated CAS: 800390-16-3
• Molecular Formula: C₁₄H₁₂N₂OS
• Molecular Weight: 255.317
• UNII: 7P55415B0R
• DSSTox Substance ID: DTXSID00205194
• Wikipedia: Pittsburgh_compound_B
• Wikidata: Q4047010
• Pharos Ligand ID: 13GHRN11FWU4
• Metabolomics Workbench ID: 155315
• ChEMBL ID: CHEMBL207456
• Mol file: 566170-04-5.mol

Synonyms:((11)C)PIB;(11C)6-OH-BTA-1;11C-PIB;2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole;6-OH-BTA-1;N-methyl-(11C)2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole;N-methyl-2-(4'-methylaminophenyl)-6-hydroxybenzothiazole;PIB benzothiazole;Pittsburgh compound B

Chemical Property of (N-methyl-(11c))2-(4'-methylaminophenyl)-6-hydroxybenzothiazole

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 255.0784668
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O
• Isomeric SMILES: [11CH3]NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O
• Recent ClinicalTrials: Clinico-Pathologic-Genetic-Imaging Study of Neurodegenerative and Related Disorders
• Recent EU Clinical Trials: IMAGING OF NEUROINFLAMMATION AND NEURODEGENERATION IN

Technology Process of (N-methyl-(11c))2-(4'-methylaminophenyl)-6-hydroxybenzothiazole

There total 4 articles about (N-methyl-(11c))2-(4'-methylaminophenyl)-6-hydroxybenzothiazole 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: 32.1%

[11C]methyl triflate (145577-00-0) + 2-(4’-aminophenyl)-6-hydroxybenzothiazole (178804-18-7) → N-methyl[11C]2-(4'-methylaminophenyl)-6-hydroxybenzathiazole (566170-04-5)

Guidance literature:

With tC₁₈; In acetone; at 20 ℃; Automated synthesizer;

DOI:10.1002/jlcr.3569

Reference yield:

[11C]methyl nonafluorobutyl-1-sulfonate + 2-(4’-aminophenyl)-6-hydroxybenzothiazole (178804-18-7) → N-methyl[11C]2-(4'-methylaminophenyl)-6-hydroxybenzathiazole (566170-04-5)

Guidance literature:

In acetone; at 5 - 7 ℃;

DOI:10.1002/jlcr.1432

Reference yield:

[11C]methyl triflate (145577-00-0) + 2-(4’-aminophenyl)-6-hydroxybenzothiazole (178804-18-7) → [O-methyl-11C]2-(4'-aminophenyl)-6-methoxybenzothiazole + N-methyl[11C]2-(4'-methylaminophenyl)-6-hydroxybenzathiazole (566170-04-5)

Guidance literature:

In butanone; at 20 ℃;

DOI:10.1002/jlcr.854

upstream raw materials:

[11C]methyl triflate

2-(4’-aminophenyl)-6-hydroxybenzothiazole