2-Fluoro-A-85380

Base Information

Chemical Name:2-Fluoro-A-85380
CAS No.:186588-98-7
Molecular Formula:C₉H₁₁FN₂O
Molecular Weight:182.198
Hs Code.:
UNII:XY1C8J4WGF
Nikkaji Number:J1.007.103H
Wikidata:Q27294050
ChEMBL ID:CHEMBL308538

Synonyms:18F-fluoro-A-85380;2-(18)F-fluoro-3(2(S)-2-azetidinylmethoxy)pyridine;2-(18F)F-A85380;2-(18F)fluoro-A-85380;2-fluoro-3-(2-azetidinylmethoxy)pyridine;F-A 85380;F-A-85380;F-fluoro-A-85380

Suppliers and Price of 2-Fluoro-A-85380

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

TRC
2-Fluoro-A85380TartrateSalt
5mg
$ 195.00

TRC
2-Fluoro-A85380TartrateSalt
50mg
$ 1540.00

American Custom Chemicals Corporation
F-A-85380 95.00%
5MG
$ 499.94

Total 5 raw suppliers

Chemical Property of 2-Fluoro-A-85380

Chemical Property:

PSA：34.15000
LogP:1.29020
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:182.08554114
Heavy Atom Count:13
Complexity:168

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-A85380TartrateSalt ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNC1COC2=C(N=CC=C2)F
Isomeric SMILES:C1CN[C@@H]1COC2=C(N=CC=C2)F
Uses A fluoro derivative of A-85380, a potent and selective ligand for the human α4β2 nicotinic acetylcholine receptor (nAChR) subtype. A new positron emission tomography ligand for nicotinic receptors. A PET precursor.

Technology Process of 2-Fluoro-A-85380

There total 6 articles about 2-Fluoro-A-85380 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: 74.0%

: 205594-61-2
2-fluoro-3-<2(S)-(tert-butoxycarbonyl)-2-azetidinylmethoxy>pyridine

: 186588-98-7
2-fluoro-3-[(S)-2-azetidinylmethoxy]pyridine

Guidance literature:: With trifluoroacetic acid; In dichloromethane; for 3h; Ambient temperature;
DOI:10.1002/(SICI)1099-1344(199804)41:4<309::AID-JLCR78>3.0.CO;2-I

Reference yield:

: 174669-74-0
2-fluoro-3-hydroxypyridine

: 186588-98-7
2-fluoro-3-[(S)-2-azetidinylmethoxy]pyridine

Guidance literature:: Multi-step reaction with 2 steps

1: 40 percent / DEAD; PPh₃ / tetrahydrofuran

2: TFA

With triphenylphosphine; trifluoroacetic acid; diethylazodicarboxylate; In tetrahydrofuran; 1: Etherification / 2: de-tert-butoxycarbonylation;

Reference yield:

: 40263-57-8
2-iodo-3-hydroxypyridine

: 186588-98-7
2-fluoro-3-[(S)-2-azetidinylmethoxy]pyridine

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) 1,3-dicyclohexylcarbodiimide, CuCl / 1.) 60 deg C, 6 h, 2.) C₆H₆, reflux, 24 h

2: 45 percent / KF, Kryptofix 222 / dimethylsulfoxide / 24 h / 160 °C

3: 61 percent / aq. HBr / acetic acid / 3 h / Ambient temperature

4: 71 percent / triphenylphosphine, diethyl azodicarboxylate / tetrahydrofuran / 90 h / Ambient temperature

5: 74 percent / CF₃COOH / CH₂Cl₂ / 3 h / Ambient temperature

With potassium fluoride; hydrogen bromide; dicyclohexyl-carbodiimide; triphenylphosphine; [2.2.2]cryptande; trifluoroacetic acid; copper(l) chloride; diethylazodicarboxylate; In tetrahydrofuran; dichloromethane; acetic acid; dimethyl sulfoxide;
DOI:10.1002/(SICI)1099-1344(199804)41:4<309::AID-JLCR78>3.0.CO;2-I