Benzonitrile, 3-[5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloro-3-fluorophenoxy]-5-chloro-

Base Information

Chemical Name:Benzonitrile, 3-[5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloro-3-fluorophenoxy]-5-chloro-
CAS No.:920035-90-1
Molecular Formula:C₂₀H₁₂Cl₂FN₅O₂
Molecular Weight:444.252
Hs Code.:
ChEMBL ID:CHEMBL572324
DSSTox Substance ID:DTXSID401113377
Mol file:920035-90-1.mol

Synonyms:920035-90-1;Benzonitrile, 3-[5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloro-3-fluorophenoxy]-5-chloro-;CHEMBL572324;3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloro-3-fluorophenoxy}-5-chlorobenzonitrile;3-[5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloro-3-fluorophenoxy]-5-chlorobenzonitrile;SCHEMBL3146599;JDKMJELQOXOOJD-UHFFFAOYSA-N;DTXSID401113377;BDBM50303157;Benzonitrile,3-[5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloro-3-fluorophenoxy]-5-chloro-;3-[5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloro-3-fluoro-phenoxy]-5-chloro-benzonitrile

Suppliers and Price of Benzonitrile, 3-[5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloro-3-fluorophenoxy]-5-chloro-

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
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American Custom Chemicals Corporation
3-[5-[(6-AMINO-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)METHOXY]-2-CHLORO-3-FLUOROPHENOXY]-5-CHLORO-BENZONITRILE 95.00%
5MG
$ 502.18

Total 1 raw suppliers

Chemical Property of Benzonitrile, 3-[5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloro-3-fluorophenoxy]-5-chloro-

Chemical Property:

PSA：110.57000
LogP:5.15908
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:443.0352082
Heavy Atom Count:30
Complexity:640

Purity/Quality:: 3-[5-[(6-AMINO-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)METHOXY]-2-CHLORO-3-FLUOROPHENOXY]-5-CHLORO-BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=NC2=NNC(=C21)COC3=CC(=C(C(=C3)F)Cl)OC4=CC(=CC(=C4)C#N)Cl)N

Technology Process of Benzonitrile, 3-[5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloro-3-fluorophenoxy]-5-chloro-

There total 2 articles about Benzonitrile, 3-[5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloro-3-fluorophenoxy]-5-chloro- 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: 4.0%

: 920036-43-7
tert-butyl 3-{[4-chloro-3-(3-chloro-5-cyanophenoxy)-5-fluorophenoxy]methyl}-6-fluoro-1H-pyrazolo[3,4-b]pyridine-1-carboxylate

: 2393-23-9
4-methoxy-benzylamine

: 920035-90-1
3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloro-3-fluorophenoxy}-5-chlorobenzonitrile

Guidance literature:: tert-butyl 3-{[4-chloro-3-(3-chloro-5-cyanophenoxy)-5-fluorophenoxy]methyl}-6-fluoro-1H-pyrazolo[3,4-b]pyridine-1-carboxylate; 4-methoxy-benzylamine; In 1-methyl-pyrrolidin-2-one; at 95 ℃; for 2h;

With trifluoroacetic acid; at 65 ℃; for 2h;

Reference yield: 4.0%

: 920036-43-7
tert-butyl 3-{[4-chloro-3-(3-chloro-5-cyanophenoxy)-5-fluorophenoxy]methyl}-6-fluoro-1H-pyrazolo[3,4-b]pyridine-1-carboxylate

: 920035-90-1
3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloro-3-fluorophenoxy}-5-chlorobenzonitrile

Guidance literature:: tert-butyl 3-{[4-chloro-3-(3-chloro-5-cyanophenoxy)-5-fluorophenoxy]methyl}-6-fluoro-1H-pyrazolo[3,4-b]pyridine-1-carboxylate; With 4-methoxy-benzylamine; In 1-methyl-pyrrolidin-2-one; at 95 ℃; for 2h; Inert atmosphere;

With trifluoroacetic acid; for 2h;
DOI:10.1021/jm901230r