Unii-P1yyv9vac7

Base Information

Chemical Name:Unii-P1yyv9vac7
CAS No.:1354653-91-0
Molecular Formula:C₁₇H₁₅FN₂O
Molecular Weight:281.319
Hs Code.:
UNII:P1YYV9VAC7
ChEMBL ID:CHEMBL2069537
Mol file:1354653-91-0.mol

Synonyms:UNII-P1YYV9VAC7;P1YYV9VAC7;(18F)THK 523;THK-523 F-18;4-[6-(2-(18F)fluoranylethoxy)quinolin-2-yl]aniline;CHEMBL2069537;[18F]THK523;BCP24740;THK523 F-18;4-(6-(2-fluoroethoxy)quinolin-2-yl)benzenamine;2-(4-Aminophenyl)-6-(2-([18F]fluoroethoxy))quinoline;4-(6-(2-(FLUORO-18F)ETHOXY)-2-QUINOLINYL)BENZENAMINE

Suppliers and Price of Unii-P1yyv9vac7

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 7 raw suppliers

Chemical Property of Unii-P1yyv9vac7

Chemical Property:

PSA：48.14000
LogP:4.41350
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:281.119375
Heavy Atom Count:21
Complexity:320

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=NC3=C(C=C2)C=C(C=C3)OCCF)N
Isomeric SMILES:C1=CC(=CC=C1C2=NC3=C(C=C2)C=C(C=C3)OCC[18F])N

Technology Process of Unii-P1yyv9vac7

There total 6 articles about Unii-P1yyv9vac7 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:

: 13676-02-3
2-chloro-6-methoxyquinoline

: 1354653-91-0
THK-523

Guidance literature:: Multi-step reaction with 6 steps

1: boron tribromide / dichloromethane / 20 °C

2: caesium carbonate / N,N-dimethyl-formamide / 48 h / 20 °C

3: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / 1,2-dimethoxyethane; water / Microwave irradiation

4: triethylamine / dichloromethane

5: potassium carbonate; [18F]fluoride ion, cyclotron produced, NCA; [2.2.2]cryptande / N,N-dimethyl-formamide; water; acetonitrile / 0.25 h / 120 °C / Sealed tube

6: hydrogenchloride; ethylene glycol / 120 °C

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; boron tribromide; potassium carbonate; caesium carbonate; ethylene glycol; triethylamine; [2.2.2]cryptande; [18F]fluoride ion, cyclotron produced, NCA; In 1,2-dimethoxyethane; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile; 3: |Suzuki Coupling;
DOI:10.1021/acschemneuro.6b00051

Reference yield:

: 577967-89-6
6-hydroxy-2-chloroquinoline

: 1354653-91-0
THK-523

Guidance literature:: Multi-step reaction with 5 steps

1: caesium carbonate / N,N-dimethyl-formamide / 48 h / 20 °C

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / 1,2-dimethoxyethane; water / Microwave irradiation

3: triethylamine / dichloromethane

4: potassium carbonate; [18F]fluoride ion, cyclotron produced, NCA; [2.2.2]cryptande / N,N-dimethyl-formamide; water; acetonitrile / 0.25 h / 120 °C / Sealed tube

5: hydrogenchloride; ethylene glycol / 120 °C

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; caesium carbonate; ethylene glycol; triethylamine; [2.2.2]cryptande; [18F]fluoride ion, cyclotron produced, NCA; In 1,2-dimethoxyethane; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile; 2: |Suzuki Coupling;
DOI:10.1021/acschemneuro.6b00051

Reference yield:

: 2-((2-chloroquinolin-6-yl)oxy)ethan-1-ol

: 1354653-91-0
THK-523

Guidance literature:: Multi-step reaction with 4 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / 1,2-dimethoxyethane; water / Microwave irradiation

2: triethylamine / dichloromethane

3: potassium carbonate; [18F]fluoride ion, cyclotron produced, NCA; [2.2.2]cryptande / N,N-dimethyl-formamide; water; acetonitrile / 0.25 h / 120 °C / Sealed tube

4: hydrogenchloride; ethylene glycol / 120 °C

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; ethylene glycol; triethylamine; [2.2.2]cryptande; [18F]fluoride ion, cyclotron produced, NCA; In 1,2-dimethoxyethane; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile; 1: |Suzuki Coupling;
DOI:10.1021/acschemneuro.6b00051