N3-Cyclohexyl-N2-[4-[[4-(methylsulfonyl)-1-piperazinyl]methyl]phenyl]-2,3-pyridinediamine

Base Information

Chemical Name:N3-Cyclohexyl-N2-[4-[[4-(methylsulfonyl)-1-piperazinyl]methyl]phenyl]-2,3-pyridinediamine
CAS No.:793675-34-0
Molecular Formula:C₂₃H₃₃N₅O₂S
Molecular Weight:443.613
Hs Code.:
DSSTox Substance ID:DTXSID601123186

Synonyms:DTXSID601123186;N3-Cyclohexyl-N2-[4-[[4-(methylsulfonyl)-1-piperazinyl]methyl]phenyl]-2,3-pyridinediamine;793675-34-0

Suppliers and Price of N3-Cyclohexyl-N2-[4-[[4-(methylsulfonyl)-1-piperazinyl]methyl]phenyl]-2,3-pyridinediamine

Supply Marketing:

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

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Chemical Property of N3-Cyclohexyl-N2-[4-[[4-(methylsulfonyl)-1-piperazinyl]methyl]phenyl]-2,3-pyridinediamine

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:443.23549649
Heavy Atom Count:31
Complexity:633

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)NC3=C(C=CC=N3)NC4CCCCC4

Technology Process of N3-Cyclohexyl-N2-[4-[[4-(methylsulfonyl)-1-piperazinyl]methyl]phenyl]-2,3-pyridinediamine

There total 6 articles about N3-Cyclohexyl-N2-[4-[[4-(methylsulfonyl)-1-piperazinyl]methyl]phenyl]-2,3-pyridinediamine 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: 95.0%

: 793675-33-9
(2-chloropyridin-3-yl)cyclohexylamine

: 328058-21-5
4-(4-(methanesulfonyl)piperazin-1-yl-methyl)aniline

: 793675-34-0
N³-cyclohexyl-N²-(4-{[4-(methylsulfonyl)piperazin-1-yl]methyl}phenyl)pyridine-2,3-diamine

Guidance literature:: With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; In toluene; for 18h; Heating;
DOI:10.1021/jo048887v

Reference yield:

: 6298-19-7
2-chloro-3-aminopyridine

: 793675-34-0
N³-cyclohexyl-N²-(4-{[4-(methylsulfonyl)piperazin-1-yl]methyl}phenyl)pyridine-2,3-diamine

Guidance literature:: Multi-step reaction with 3 steps

1.1: HCl; aq. sodium nitrite / 0.17 h / -5 - 5 °C

1.2: 92 percent / aq. KI / -5 - 20 °C

2.1: 85 percent / Pd(OAc)2; rac-BINAP; Cs₂CO₃ / Et₃N / toluene / 18 h / Heating

3.1: 95 percent / Pd₂(dba)3; rac-BINAP; NaOtBu / toluene / 18 h / Heating

With hydrogenchloride; palladium diacetate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; sodium nitrite; triethylamine; In toluene;
DOI:10.1021/jo048887v

Reference yield:

: 78607-36-0
2-chloro-3-iodopyridine

: 793675-34-0
N³-cyclohexyl-N²-(4-{[4-(methylsulfonyl)piperazin-1-yl]methyl}phenyl)pyridine-2,3-diamine

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / Pd(OAc)2; rac-BINAP; Cs₂CO₃ / Et₃N / toluene / 18 h / Heating

2: 95 percent / Pd₂(dba)3; rac-BINAP; NaOtBu / toluene / 18 h / Heating

With palladium diacetate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; triethylamine; In toluene;
DOI:10.1021/jo048887v