1,1-Dimethylethyl 4-[[4-[(3-chlorophenyl)sulfonyl]phenyl]methyl]-1-piperidinecarboxylate

Base Information

Chemical Name:1,1-Dimethylethyl 4-[[4-[(3-chlorophenyl)sulfonyl]phenyl]methyl]-1-piperidinecarboxylate
CAS No.:331765-59-4
Molecular Formula:C23H28ClNO4S
Molecular Weight:449.999
Hs Code.:
DSSTox Substance ID:DTXSID401123697
Nikkaji Number:J1.517.315G

Synonyms:DTXSID401123697;331765-59-4;1,1-Dimethylethyl 4-[[4-[(3-chlorophenyl)sulfonyl]phenyl]methyl]-1-piperidinecarboxylate

Suppliers and Price of 1,1-Dimethylethyl 4-[[4-[(3-chlorophenyl)sulfonyl]phenyl]methyl]-1-piperidinecarboxylate

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

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Chemical Property of 1,1-Dimethylethyl 4-[[4-[(3-chlorophenyl)sulfonyl]phenyl]methyl]-1-piperidinecarboxylate

Chemical Property:

XLogP3:5.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:449.1427572
Heavy Atom Count:30
Complexity:668

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCC(CC1)CC2=CC=C(C=C2)S(=O)(=O)C3=CC(=CC=C3)Cl

Technology Process of 1,1-Dimethylethyl 4-[[4-[(3-chlorophenyl)sulfonyl]phenyl]methyl]-1-piperidinecarboxylate

There total 1 articles about 1,1-Dimethylethyl 4-[[4-[(3-chlorophenyl)sulfonyl]phenyl]methyl]-1-piperidinecarboxylate 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: 87.0%

: 159635-49-1
tert-butyl 4-methylidenepiperidine-1-carboxylate

: 331765-58-3
C₁₂H₈BrClO₂S

: 331765-59-4
1-piperidinecarboxylic acid, 4-[4-(3-chlorophenylsulfonyl)phenylmethyl],-1,1-dimethylethyl ester

Guidance literature:: tert-butyl 4-methylidenepiperidine-1-carboxylate; With 9-borabicyclo[3.3.1]nonane dimer; In tetrahydrofuran; for 1h; Heating;

C₁₂H₈BrClO₂S; With potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In tetrahydrofuran; water; N,N-dimethyl-formamide; at 60 ℃; for 3h;
DOI:10.1021/jo0007682

Reference yield: 88.0%

: 331765-59-4
1-piperidinecarboxylic acid, 4-[4-(3-chlorophenylsulfonyl)phenylmethyl],-1,1-dimethylethyl ester

: 331765-60-7
4-[4-(3-chloro-benzenesulfonyl)-benzyl]-piperidine

Guidance literature:: 1-piperidinecarboxylic acid, 4-[4-(3-chlorophenylsulfonyl)phenylmethyl],-1,1-dimethylethyl ester; With trifluoroacetic acid; In dichloromethane; water; at 0 ℃; for 0.5h;

With trifluoroacetic acid; In water; for 2h;

With sodium hydroxide; In water; for 0.05h;

Reference yield:

: 331765-59-4
1-piperidinecarboxylic acid, 4-[4-(3-chlorophenylsulfonyl)phenylmethyl],-1,1-dimethylethyl ester

: 331765-50-5
Sch 211803

Guidance literature:: Multi-step reaction with 4 steps

1: trifluoroacetic acid / CH₂Cl₂; H₂O / 2.5 h

2: 2.27 g / acetic acid; NaBH(OAc)3 / CH₂Cl₂ / 20 h / 20 °C

3: trifluoroacetic acid / CH₂Cl₂; H₂O / 0.5 h

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

With sodium tris(acetoxy)borohydride; benzotriazol-1-ol; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2003.11.005