(2-Amino-3-methylphenyl)(4-((4-((3-chlorophenyl)sulfonyl)phenyl)methyl)(1,4'-bipiperidin)-1'-yl)methanone

Base Information

Chemical Name:(2-Amino-3-methylphenyl)(4-((4-((3-chlorophenyl)sulfonyl)phenyl)methyl)(1,4'-bipiperidin)-1'-yl)methanone
CAS No.:331765-50-5
Molecular Formula:C31H36ClN3O3S
Molecular Weight:566.164
Hs Code.:
UNII:61GSP3D46U
Nikkaji Number:J1.688.200C
Pharos Ligand ID:A58SAVVJ5TQY
ChEMBL ID:CHEMBL12098

Synonyms:SCH-211803;61GSP3D46U;UNII-61GSP3D46U;CHEMBL12098;(2-Amino-3-methylphenyl)(4-((4-((3-chlorophenyl)sulfonyl)phenyl)methyl)(1,4'-bipiperidin)-1'-yl)methanone;331765-50-5;Methanone, (2-amino-3-methylphenyl)(4-((4-((3-chlorophenyl)sulfonyl)phenyl)methyl)(1,4'-bipiperidin)-1'-yl)-;Piperidine, 1-(1-(3-methyl-2-aminophenyl)carbonylpiperidin-4-yl)-4-((3-chlorophenypsulphonylphenyl-4)methyl-);D08YVT;Sch211803;SCHEMBL12124213;BDBM50111346;L001654;(2-Amino-3-methyl-phenyl)-{4-[4-(3-chloro-benzenesulfonyl)-benzyl]-[1,4'']bipiperidinyl-1''-yl}-methanone

Suppliers and Price of (2-Amino-3-methylphenyl)(4-((4-((3-chlorophenyl)sulfonyl)phenyl)methyl)(1,4'-bipiperidin)-1'-yl)methanone

Supply Marketing:

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

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Chemical Property of (2-Amino-3-methylphenyl)(4-((4-((3-chlorophenyl)sulfonyl)phenyl)methyl)(1,4'-bipiperidin)-1'-yl)methanone

Chemical Property:

XLogP3:6.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:565.2165909
Heavy Atom Count:39
Complexity:903

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)C(=O)N2CCC(CC2)N3CCC(CC3)CC4=CC=C(C=C4)S(=O)(=O)C5=CC(=CC=C5)Cl)N

Technology Process of (2-Amino-3-methylphenyl)(4-((4-((3-chlorophenyl)sulfonyl)phenyl)methyl)(1,4'-bipiperidin)-1'-yl)methanone

There total 11 articles about (2-Amino-3-methylphenyl)(4-((4-((3-chlorophenyl)sulfonyl)phenyl)methyl)(1,4'-bipiperidin)-1'-yl)methanone 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: 84.0%

: 4389-45-1
3-methylantranilic acid

: 331765-62-9
4-[4-(3-chloro-benzenesulfonyl)-benzyl]-[1,4']bipiperidinyl

: 331765-50-5
Sch 211803

Guidance literature:: With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 16h;

Reference yield:

: 31252-42-3
4-benzylpyperidine

: 331765-50-5
Sch 211803

Guidance literature:: Multi-step reaction with 7 steps

1: CH₂Cl₂ / 1.5 h / 20 °C

2: 105 g / methanesulfonic acd; dibromodimethylhydantoin / CH₂Cl₂ / 0 - 20 °C

3: K₂CO₃ / methanol; H₂O / 3 h

4: glacial acetic acid; NaBH(OAc)3 / CH₂Cl₂ / 20 °C

5: 3.03 g / n-butyllithium / tetrahydrofuran; hexane / -78 - 20 °C

6: trifluoroacetic acid / CH₂Cl₂; H₂O / 0.5 h

7: EDCI; 1-hydroxybenzotriazole; diisopropylethylamine / dimethylformamide / 20 °C

With n-butyllithium; methanesulfonic acid; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; sodium tris(acetoxy)borohydride; potassium carbonate; benzotriazol-1-ol; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; hexane; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2003.11.005

Reference yield:

: 157338-47-1
1-(trifluoroacetyl)-4-benzylpiperidine

: 331765-50-5
Sch 211803

Guidance literature:: Multi-step reaction with 6 steps

1: 105 g / methanesulfonic acd; dibromodimethylhydantoin / CH₂Cl₂ / 0 - 20 °C

2: K₂CO₃ / methanol; H₂O / 3 h

3: glacial acetic acid; NaBH(OAc)3 / CH₂Cl₂ / 20 °C

4: 3.03 g / n-butyllithium / tetrahydrofuran; hexane / -78 - 20 °C

5: trifluoroacetic acid / CH₂Cl₂; H₂O / 0.5 h

6: EDCI; 1-hydroxybenzotriazole; diisopropylethylamine / dimethylformamide / 20 °C

With n-butyllithium; methanesulfonic acid; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; sodium tris(acetoxy)borohydride; potassium carbonate; benzotriazol-1-ol; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; hexane; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2003.11.005