4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-piperidine-1-carboxylic acid tert-butyl ester

Base Information

Chemical Name:4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-piperidine-1-carboxylic acid tert-butyl ester
CAS No.:832715-08-9
Molecular Formula:C22H26FN5O4S2
Molecular Weight:507.61
Hs Code.:
DSSTox Substance ID:DTXSID101104468
Wikidata:Q27076829
Pharos Ligand ID:NU3T5BTCFZGJ
ChEMBL ID:CHEMBL1773283

4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-piperidine-1-carboxylic acid tert-butyl ester

Synonyms:CHEMBL1773283;compound 8g [PMID: 21444206];compound 8g;D0X3NW;SCHEMBL390350;GTPL5739;PMID21444206C8g;KRCCTTRJUJRZKA-UHFFFAOYSA-N;DTXSID101104468;BDBM50343443;4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-piperidine-1-carboxylic acid tert-butyl ester;Q27076829;1,1-Dimethylethyl 4-[[1-[2-fluoro-4-(methylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]thio]-1-piperidinecarboxylate;832715-08-9;tert-butyl 4-(1-(2-fluoro-4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)piperidine-1-carboxylate;tert-butyl 4-{[1-(2-fluoro-4-methanesulfonylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}piperidine-1-carboxylate

Suppliers and Price of 4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-piperidine-1-carboxylic acid tert-butyl ester

Supply Marketing:

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

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Chemical Property of 4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-piperidine-1-carboxylic acid tert-butyl ester

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:507.14102484
Heavy Atom Count:34
Complexity:828

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCC(CC1)SC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)S(=O)(=O)C)F

Technology Process of 4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-piperidine-1-carboxylic acid tert-butyl ester

There total 5 articles about 4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-piperidine-1-carboxylic acid tert-butyl ester 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:

: 832714-38-2
4-chloro-1-(2-fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidine

: 832715-08-9
4-[1-(2-fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]-pyrimidin-4-ylsulfanyl]-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: tert-butyl 4-mercapto-1-piperidinecarboxylate; With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 0.75h;

4-chloro-1-(2-fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidine; In DMF (N,N-dimethyl-formamide); for 1h;

Reference yield:

: 832714-38-2
4-chloro-1-(2-fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidine

: 134464-79-2
tert-butyl 4-mercapto-1-piperidinecarboxylate

: 832715-08-9
4-[1-(2-fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]-pyrimidin-4-ylsulfanyl]-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: With sodium hydride; In tetrahydrofuran; at 20 ℃;
DOI:10.1016/j.bmcl.2011.03.007

Reference yield:

: 832714-48-4
(2-fluoro-4-(methylsulfonyl)phenyl)hydrazine

: 832715-08-9
4-[1-(2-fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]-pyrimidin-4-ylsulfanyl]-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: methanol / Reflux

2: water / Reflux

3: N,N-dimethyl-aniline; trichlorophosphate / Reflux

4: sodium hydride / tetrahydrofuran / 20 °C

With sodium hydride; N,N-dimethyl-aniline; trichlorophosphate; In tetrahydrofuran; methanol; water;
DOI:10.1016/j.bmcl.2011.03.007