(S)-3-Cyclohexylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

Base Information

• Chemical Name: (S)-3-Cyclohexylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
• CAS No.: 152754-34-2
• Molecular Formula: C₂₂H₃₇NO₄
• Molecular Weight: 379.54
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60431715
• Nikkaji Number: J3.046.113D
• Wikidata: Q82245676
• Mol file: 152754-34-2.mol

Synonyms:152754-34-2;(S)-3-Cyclohexylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;3-CYCLOHEXYLPROPYL (2S)-1-(3,3-DIMETHYL-2-OXOPENTANOYL)PIPERIDINE-2-CARBOXYLATE;SCHEMBL7392887;DTXSID60431715;NSEWQAAURSWQID-SFHVURJKSA-N;(2S)-1-(3,3-Dimethyl-1,2-dioxopentyl)piperidine-2-carboxylic acid 3-cyclohexylpropyl ester;(S)-3-Cyclohexylpropyl1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

Chemical Property of (S)-3-Cyclohexylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

Chemical Property:

• PSA: 63.68000
• LogP: 4.21440
• Storage Temp.: 2-8°C
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 379.27225866
• Heavy Atom Count: 27
• Complexity: 522

Purity/Quality:

98%min ^*data from raw suppliers

(S)-3-Cyclohexylpropyl1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCC2CCCCC2
• Isomeric SMILES: CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCC2CCCCC2

Technology Process of (S)-3-Cyclohexylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

There total 5 articles about (S)-3-Cyclohexylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate 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: 81.0%

3-cyclohexylpropan-1-ol (1124-63-6) + (S)-methyl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate (152754-55-7) → 3-cyclohexyl-1-propyl (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylate (152754-34-2)

Guidance literature:

With dmap; (1S)-10-camphorsulfonic acid; dicyclohexyl-carbodiimide; In dichloromethane; Ambient temperature;

DOI:10.1021/ja00075a008

Reference yield:

1,1-dimethylpropylmagnesium chloride (28276-08-6) → 3-cyclohexyl-1-propyl (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylate (152754-34-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 73 percent / tetrahydrofuran; diethyl ether / 3 h / -78 °C

2: 80 percent / 1 N aq. LiOH / methanol / 6.5 h / 0 - 20 °C

3: 81 percent / 1,3-dicyclohexylcarbodiimide, 4-(dimethylamino)pyridine, 10-camphorsulfonic acid / CH₂Cl₂ / Ambient temperature

With dmap; lithium hydroxide; (1S)-10-camphorsulfonic acid; dicyclohexyl-carbodiimide; In tetrahydrofuran; methanol; diethyl ether; dichloromethane;

DOI:10.1021/ja00075a008

Reference yield:

ethyl (2S)-1-(1,2-dioxo-2-methoxyethyl)-2-piperidinecarboxylate → 3-cyclohexyl-1-propyl (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylate (152754-34-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 73 percent / tetrahydrofuran; diethyl ether / 3 h / -78 °C

2: 80 percent / 1 N aq. LiOH / methanol / 6.5 h / 0 - 20 °C

3: 81 percent / 1,3-dicyclohexylcarbodiimide, 4-(dimethylamino)pyridine, 10-camphorsulfonic acid / CH₂Cl₂ / Ambient temperature

With dmap; lithium hydroxide; (1S)-10-camphorsulfonic acid; dicyclohexyl-carbodiimide; In tetrahydrofuran; methanol; diethyl ether; dichloromethane;

DOI:10.1021/ja00075a008

upstream raw materials:

3-cyclohexylpropan-1-ol

(S)-methyl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

1,1-dimethylpropylmagnesium chloride

ethyl (2S)-1-(1,2-dioxo-3,3-dimethylpentyl)-2-piperidinecarboxylate

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