(E)-N-[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]-N-methyl-3-(4-methylsulfonylphenyl)prop-2-enamide

Base Information

Chemical Name:(E)-N-[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]-N-methyl-3-(4-methylsulfonylphenyl)prop-2-enamide
CAS No.:134907-17-8
Molecular Formula:C₂₉H₃₃N₃O₅S₂
Molecular Weight:567.73
Hs Code.:
Nikkaji Number:J423.955E
ChEMBL ID:CHEMBL73350
Mol file:134907-17-8.mol

Synonyms:ER 3826;ER-3826;N-(1-benzyl-4-piperidinyl)-4-(N-methyl-N-3-(4-(methylsulfonyl)phenyl-2-propenoyl)amino)benzenesulfonamide

Suppliers and Price of (E)-N-[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]-N-methyl-3-(4-methylsulfonylphenyl)prop-2-enamide

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

American Custom Chemicals Corporation
ER 3826 95.00%
5MG
$ 496.60

Total 0 raw suppliers

Chemical Property of (E)-N-[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]-N-methyl-3-(4-methylsulfonylphenyl)prop-2-enamide

Chemical Property:

Vapor Pressure:5.85E-22mmHg at 25°C
Boiling Point:743.2°C at 760 mmHg
Flash Point:403.3°C
PSA：120.62000
Density:1.35g/cm³
LogP:6.19960
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:567.18616351
Heavy Atom Count:39
Complexity:1020

Purity/Quality:: ER 3826 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C1=CC=C(C=C1)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)C=CC4=CC=C(C=C4)S(=O)(=O)C
Isomeric SMILES:CN(C1=CC=C(C=C1)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)/C=C/C4=CC=C(C=C4)S(=O)(=O)C

Technology Process of (E)-N-[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]-N-methyl-3-(4-methylsulfonylphenyl)prop-2-enamide

There total 10 articles about (E)-N-[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]-N-methyl-3-(4-methylsulfonylphenyl)prop-2-enamide 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: 76.0%

: 134907-72-5
(E)‐3‐(4‐(methylsulfonyl)phenyl)acryloyl chloride

: 134907-64-5
N-(1-benzyl-4-piperidinyl)-4-(methylamino)benzenesulfonamide dihydrochloride

: 134907-17-8
N-(1-benzyl-4-piperidinyl)-4-(N-methyl-N-{(E)-3-[4-(methylsulfonyl)phenyl]-2-propenoyl}amino)benzenesulfonamide

Guidance literature:: In pyridine; dichloromethane; at 0 - 20 ℃; for 2h;

Reference yield:

: 50541-93-0
4-amino-1-benzylpiperidine

: 134907-17-8
N-(1-benzyl-4-piperidinyl)-4-(N-methyl-N-{(E)-3-[4-(methylsulfonyl)phenyl]-2-propenoyl}amino)benzenesulfonamide

Guidance literature:: Multi-step reaction with 3 steps

1: CH₃COONa / ethanol / 4 h / Ambient temperature

2: 4 N aq. HCl / 3 h / Heating

3: 70 percent / pyridine / CH₂Cl₂ / 2 h / Ambient temperature

With pyridine; hydrogenchloride; sodium acetate; In ethanol; dichloromethane;
DOI:10.1021/jm00111a048

Reference yield:

: 39169-92-1
4-(N-acetyl-N-methylamino)benzenesulfonyl chloride

: 134907-17-8
N-(1-benzyl-4-piperidinyl)-4-(N-methyl-N-{(E)-3-[4-(methylsulfonyl)phenyl]-2-propenoyl}amino)benzenesulfonamide

Guidance literature:: Multi-step reaction with 3 steps

1: CH₃COONa / ethanol / 4 h / Ambient temperature

2: 4 N aq. HCl / 3 h / Heating

3: 70 percent / pyridine / CH₂Cl₂ / 2 h / Ambient temperature

With pyridine; hydrogenchloride; sodium acetate; In ethanol; dichloromethane;
DOI:10.1021/jm00111a048