Gyt6acy5JL

Base Information

Chemical Name:Gyt6acy5JL
CAS No.:807342-16-1
Molecular Formula:C18H27ClN2OS
Molecular Weight:354.944
Hs Code.:
UNII:GYT6ACY5JL
DSSTox Substance ID:DTXSID201028809
Wikidata:Q6109291
Wikipedia:JZ-IV-10

Synonyms:GYT6ACY5JL;JZ-IV-10;UNII-GYT6ACY5JL;807342-16-1;2-((((3R,4S)-4-(4-Chlorophenyl)-1-methyl-3-piperidinyl)methyl)thio)-N-(1-methylethyl)acetamide;Acetamide, 2-((((3R,4S)-4-(4-chlorophenyl)-1-methyl-3-piperidinyl)methyl)thio)-N-(1-methylethyl)-;Acetamide, 2-[[[(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-piperidinyl]methyl]thio]-N-(1-methylethyl)-;SCHEMBL1087051;DTXSID201028809;Q6109291;2-({[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-3-piperidinyl]methyl}sulfanyl)-N-isopropylacetamide

Suppliers and Price of Gyt6acy5JL

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
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Total 0 raw suppliers

Chemical Property of Gyt6acy5JL

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:354.1532624
Heavy Atom Count:23
Complexity:372

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)NC(=O)CSCC1CN(CCC1C2=CC=C(C=C2)Cl)C
Isomeric SMILES:CC(C)NC(=O)CSC[C@H]1CN(CC[C@@H]1C2=CC=C(C=C2)Cl)C

Technology Process of Gyt6acy5JL

There total 4 articles about Gyt6acy5JL 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: 82.0%

: 75-31-0
isopropylamine

: 807342-02-5
(+)-2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetic acid methyl ester

: 807342-16-1
(+)-2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]-N-isopropylacetamide

Guidance literature:: In methanol; at 20 ℃;
DOI:10.1021/jm040117o

Reference yield:

: 263769-24-0
(+)-4β-(4-Chlorophenyl)-3α-(hydroxymethyl)-1-methylpiperidine

: 807342-16-1
(+)-2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]-N-isopropylacetamide

Guidance literature:: Multi-step reaction with 3 steps

1: 86 percent / PPh₃; I₂; imidazole / CH₂Cl₂ / 2.5 h / Heating

2: 88 percent / Cs₂CO₃ / acetonitrile / 20 °C

3: 82 percent / methanol / 20 °C

With 1H-imidazole; iodine; caesium carbonate; triphenylphosphine; In methanol; dichloromethane; acetonitrile;
DOI:10.1021/jm040117o

Reference yield:

: 263769-22-8,205805-13-6
(+)-methyl 4β-(4-chlorophenyl)-1-methylpiperidine-3α-carboxylate

: 807342-16-1
(+)-2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]-N-isopropylacetamide

Guidance literature:: Multi-step reaction with 4 steps

1: 92 percent / LiAlH₄ / tetrahydrofuran / 20 °C

2: 86 percent / PPh₃; I₂; imidazole / CH₂Cl₂ / 2.5 h / Heating

3: 88 percent / Cs₂CO₃ / acetonitrile / 20 °C

4: 82 percent / methanol / 20 °C

With 1H-imidazole; lithium aluminium tetrahydride; iodine; caesium carbonate; triphenylphosphine; In tetrahydrofuran; methanol; dichloromethane; acetonitrile;
DOI:10.1021/jm040117o