Benzyl 4-(2-hydroxy-4-methoxybenzoyl)piperidine-1-carboxylate

Base Information

• Chemical Name: Benzyl 4-(2-hydroxy-4-methoxybenzoyl)piperidine-1-carboxylate
• CAS No.: 84162-91-4
• Molecular Formula: C21H23NO5
• Molecular Weight: 369.41100
• DSSTox Substance ID: DTXSID00517441
• Wikidata: Q82379458
• Mol file: 84162-91-4.mol

Synonyms:84162-91-4;2-(5-Methoxy)phenol 4-(N-Benzyloxycarbonyl)piperidinyl Ketone;benzyl 4-(2-hydroxy-4-methoxybenzoyl)piperidine-1-carboxylate;GBULKWPSVGWMNK-UHFFFAOYSA-N;DTXSID00517441;Benzyl 4-(2-hydroxy-4-methoxybenzoyl)-1-piperidinecarboxylate;4-(2-Hydroxy-4-methoxybenzoyl)-1-piperidinecarboxylic Acid Benzyl Ester;FT-0671313;4-(2-Hydroxy-4-methoxybenzoyl)-1-piperidine carboxylic acid, phenylmethyl ester

Chemical Property of Benzyl 4-(2-hydroxy-4-methoxybenzoyl)piperidine-1-carboxylate

Chemical Property:

• PSA: 76.07000
• LogP: 3.57020
• Solubility.: Dichloromethane, Methanol
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 369.15762283
• Heavy Atom Count: 27
• Complexity: 497

Purity/Quality:

97% ^*data from raw suppliers

2-(5-Methoxy)phenol4-(N-Benzyloxycarbonyl)piperidinylKetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)OCC3=CC=CC=C3)O
• Uses: Intermediate in the preparation of Risperidone derivatives.

Technology Process of Benzyl 4-(2-hydroxy-4-methoxybenzoyl)piperidine-1-carboxylate

There total 6 articles about Benzyl 4-(2-hydroxy-4-methoxybenzoyl)piperidine-1-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: 76.0%

benzyl chloroformate (501-53-1,94274-21-2) + 4-(2-hydroxy-4-methoxybenzoyl)piperidine hydrochloride (84162-88-9) → phenylmethyl 4-(2-hydroxy-4-methoxybenzoyl)-1-piperidinecarboxylate (84162-91-4)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; for 1.5h; Ambient temperature;

DOI:10.1021/jm00383a012

Reference yield:

benzyl chloroformate (501-53-1,94274-21-2) + 4-(2-hydroxy-4-methoxybenzoyl)piperidine (64671-19-8) → phenylmethyl 4-(2-hydroxy-4-methoxybenzoyl)-1-piperidinecarboxylate (84162-91-4)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane;

Reference yield:

1-acetyl-4-(2-hydroxy-4-methoxybenzoyl)piperidine (64671-18-7) → phenylmethyl 4-(2-hydroxy-4-methoxybenzoyl)-1-piperidinecarboxylate (84162-91-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / 6 N aq. HCl / 6 h / Heating

2: 76 percent / NaHCO₃ / CH₂Cl₂ / 1.5 h / Ambient temperature

With hydrogenchloride; sodium hydrogencarbonate; In dichloromethane;

DOI:10.1021/jm00383a012

upstream raw materials:

benzyl chloroformate

4-(2-hydroxy-4-methoxybenzoyl)piperidine hydrochloride

1-acetyl-4-(2-hydroxy-4-methoxybenzoyl)piperidine

1-acetylpiperidine-4-carbonyl chloride

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