N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide

Base Information

Chemical Name:N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
CAS No.:195199-95-2
Molecular Formula:C₁₈H₃₀N₂O₂S
Molecular Weight:338.514
Hs Code.:
UNII:GF43CP5LXQ
DSSTox Substance ID:DTXSID201029788
Nikkaji Number:J937.937A
Wikipedia:SB-258719
Wikidata:Q855345
Pharos Ligand ID:UA171JYU69ZY
ChEMBL ID:CHEMBL12264
Mol file:195199-95-2.mol

Synonyms:3,N-dimethyl-N-(1-methyl-3-(4-methylpiperidin-1-yl)propyl)benzenesulfonamide;SB 258719;SB-258719

Suppliers and Price of N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide

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

Tocris
SB258719hydrochloride ≥99%(HPLC)
50
$ 816.00

Tocris
SB258719hydrochloride ≥99%(HPLC)
10
$ 191.00

ChemScene
SB258719 99.16%
10mg
$ 280.00

ChemScene
SB258719 99.16%
5mg
$ 160.00

ChemScene
SB258719 99.16%
25mg
$ 590.00

American Custom Chemicals Corporation
SB-258719 95.00%
5MG
$ 496.65

Total 4 raw suppliers

Chemical Property of N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide

Chemical Property:

Boiling Point:463.6±55.0 °C(Predicted)
PKA:9.36±0.10(Predicted)
PSA：49.00000
Density:1.075±0.06 g/cm3(Predicted)
LogP:4.94670
Storage Temp.:Desiccate at RT
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:338.20279938
Heavy Atom Count:23
Complexity:452

Purity/Quality:

97% ^*data from raw suppliers

SB258719hydrochloride ≥99%(HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCN(CC1)CCC(C)N(C)S(=O)(=O)C2=CC=CC(=C2)C
Isomeric SMILES:CC1CCN(CC1)CC[C@@H](C)N(C)S(=O)(=O)C2=CC=CC(=C2)C
Uses SB 258719 Hydrochloride is a useful intermediate.

Technology Process of N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide

There total 5 articles about N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide 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: 40.0%

: 1899-93-0
3-methylphenylsulfonyl chloride

: 195201-09-3
Methyl-[(R)-1-methyl-3-(4-methyl-piperidin-1-yl)-propyl]-amine

: 195199-95-2
SB 258719

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In dichloromethane;
DOI:10.1021/jm970519e

Reference yield:

: 626-58-4
4-methylpiperidin

: 195199-95-2
SB 258719

Guidance literature:: Multi-step reaction with 3 steps

1: Et₃N

2: 78 percent / LiAlH₄ / tetrahydrofuran

3: 40 percent / iPr₂EtN / CH₂Cl₂

With lithium aluminium tetrahydride; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm970519e

Reference yield:

: 67843-72-5
(R)-3-(((benzyloxy)carbonyl)amino)butanoic acid

: 195199-95-2
SB 258719

Guidance literature:: Multi-step reaction with 4 steps

1: (COCl)2 / dimethylformamide; CH₂Cl₂

2: Et₃N

3: 78 percent / LiAlH₄ / tetrahydrofuran

4: 40 percent / iPr₂EtN / CH₂Cl₂

With lithium aluminium tetrahydride; oxalyl dichloride; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm970519e