2,4-Pyrimidinediamine, 5-chloro-N2-((1S)-1-(5-fluoro-2-pyridinyl)ethyl)-N4-(5-(1-methylethoxy)-1H-pyrazol-3-yl)-

Base Information

Chemical Name:2,4-Pyrimidinediamine, 5-chloro-N2-((1S)-1-(5-fluoro-2-pyridinyl)ethyl)-N4-(5-(1-methylethoxy)-1H-pyrazol-3-yl)-
CAS No.:915720-21-7
Molecular Formula:C₁₇H₁₉ClFN₇O
Molecular Weight:391.836
Hs Code.:
UNII:009OMI967N
ChEMBL ID:CHEMBL457614
DSSTox Substance ID:DTXSID10238635
Pharos Ligand ID:GATFH4UA89UY
Wikidata:Q27231337
Mol file:915720-21-7.mol

Synonyms:AZ-23;915720-21-7;2,4-Pyrimidinediamine, 5-chloro-N2-((1S)-1-(5-fluoro-2-pyridinyl)ethyl)-N4-(5-(1-methylethoxy)-1H-pyrazol-3-yl)-;CHEMBL457614;009OMI967N;5-Chloro-N-((1S)-1-(5-fluoropyridin-2-yl)ethyl)-N'-(5-isopropoxy-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-Chloranyl-N2-[(1s)-1-(5-Fluoranylpyridin-2-Yl)ethyl]-N4-(3-Propan-2-Yloxy-1h-Pyrazol-5-Yl)pyrimidine-2,4-Diamine;AZ 23;UNII-009OMI967N;5-Chloro-N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-N'-(5-isopropoxy-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;MLS006010336;SCHEMBL588730;AZ23;DTXSID10238635;LBVKEEFIPBQIMD-JTQLQIEISA-N;EX-A5082;BDBM50392788;AKOS027321984;BCP9000347;NCGC00250381-01;NCGC00250381-02;NCGC00250381-03;HY-15590;MS-26543;SMR004701398;CS-0007790;E98894;Q27231337;(S)-5-Chloro-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N4-(5-isopropoxy-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine;5-chloro-N~2~-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-N~4~-[3-(propan-2-yloxy)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine;5-Chloro-N2-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-N4-(5-isopropoxy-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;V4Z

Suppliers and Price of 2,4-Pyrimidinediamine, 5-chloro-N2-((1S)-1-(5-fluoro-2-pyridinyl)ethyl)-N4-(5-(1-methylethoxy)-1H-pyrazol-3-yl)-

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
5-Chloro-N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-N''-(5-isopropoxy-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
25mg
$ 1470.00

ChemScene
AZ-23 99.93%
50mg
$ 960.00

Biosynth Carbosynth
AZ 23
50 mg
$ 647.50

Biosynth Carbosynth
AZ 23
10 mg
$ 185.00

American Custom Chemicals Corporation
AZ-23 95.00%
2MG
$ 234.00

American Custom Chemicals Corporation
AZ-23 95.00%
5MG
$ 501.68

AK Scientific
AZ-23
10mg
$ 299.00

Total 24 raw suppliers

Chemical Property of 2,4-Pyrimidinediamine, 5-chloro-N2-((1S)-1-(5-fluoro-2-pyridinyl)ethyl)-N4-(5-(1-methylethoxy)-1H-pyrazol-3-yl)-

Chemical Property:

PSA：103.87000
Density:1.411
LogP:3.58600
XLogP3:3.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:391.1323641
Heavy Atom Count:27
Complexity:463

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-N''-(5-isopropoxy-1H-pyrazol-3-yl)pyrimidine-2,4-diamine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)OC1=NNC(=C1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=C3)F
Isomeric SMILES:C[C@@H](C1=NC=C(C=C1)F)NC2=NC=C(C(=N2)NC3=CC(=NN3)OC(C)C)Cl

Technology Process of 2,4-Pyrimidinediamine, 5-chloro-N2-((1S)-1-(5-fluoro-2-pyridinyl)ethyl)-N4-(5-(1-methylethoxy)-1H-pyrazol-3-yl)-

There total 13 articles about 2,4-Pyrimidinediamine, 5-chloro-N2-((1S)-1-(5-fluoro-2-pyridinyl)ethyl)-N4-(5-(1-methylethoxy)-1H-pyrazol-3-yl)- 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:

: 905587-15-7
(S)-1-(5-fluoropyridin-2-yl)-ethanamine

: 915720-59-1
2,5-dichloro-N-(5-propan-2-yloxy-1H-pyrazol-3-yl)pyrimidin-4-amine

: 915720-21-7
AZ23

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In butan-1-ol; at 175 ℃;
DOI:10.1021/jm800343j

Reference yield:

: 41404-58-4
2-bromo-5-fluoropyridine

: 915720-21-7
AZ23

Guidance literature:: Multi-step reaction with 6 steps

1.1: zinc / 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / ISOPROPYLAMIDE / 3 h / 95 °C

2.1: tetrahydrofuran / 0.5 h / 0 °C

2.2: 0 - 20 °C

3.1: hydrogen / (Z,Z)-cycloocta-1,5-diene(S,S-1,2-bis(2,5-dimethylphospholanyl)benzene)rhodium(I) tetrafluoroborate / methanol / 18 h / 25 °C / 3750.38 Torr

4.1: dmap / tetrahydrofuran / 20 h / 50 °C

4.2: 5 h / 20 °C

5.1: hydrogenchloride / 1,4-dioxane; dichloromethane / 3 h / 20 °C

6.1: N-ethyl-N,N-diisopropylamine / butan-1-ol / 115 °C / Heating / reflux

With hydrogenchloride; dmap; hydrogen; N-ethyl-N,N-diisopropylamine; zinc; 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; (Z,Z)-cycloocta-1,5-diene(S,S-1,2-bis(2,5-dimethylphospholanyl)benzene)rhodium(I) tetrafluoroborate; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; ISOPROPYLAMIDE; butan-1-ol;

Reference yield:

: 327056-62-2
5-fluoropicolinonitrile

: 915720-21-7
AZ23

Guidance literature:: Multi-step reaction with 5 steps

1.1: tetrahydrofuran / 0.5 h / 0 °C

1.2: 0 - 20 °C

2.1: hydrogen / (Z,Z)-cycloocta-1,5-diene(S,S-1,2-bis(2,5-dimethylphospholanyl)benzene)rhodium(I) tetrafluoroborate / methanol / 18 h / 25 °C / 3750.38 Torr

3.1: dmap / tetrahydrofuran / 20 h / 50 °C

3.2: 5 h / 20 °C

4.1: hydrogenchloride / 1,4-dioxane; dichloromethane / 3 h / 20 °C

5.1: N-ethyl-N,N-diisopropylamine / butan-1-ol / 115 °C / Heating / reflux

With hydrogenchloride; dmap; hydrogen; N-ethyl-N,N-diisopropylamine; (Z,Z)-cycloocta-1,5-diene(S,S-1,2-bis(2,5-dimethylphospholanyl)benzene)rhodium(I) tetrafluoroborate; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; butan-1-ol;