Enpiperate

Base Information

• Chemical Name: Enpiperate
• CAS No.: 3608-67-1
• Molecular Formula: C20H23 N O3
• Molecular Weight: 325.408
• Hs Code.: 2933399090
• European Community (EC) Number: 222-774-0
• NSC Number: 172167
• UNII: QWK86805EB
• DSSTox Substance ID: DTXSID20189664
• Nikkaji Number: J205.536H
• Wikipedia: Enpiperate
• Wikidata: Q5379477
• Pharos Ligand ID: 8NFJSFMB7BZ5
• ChEMBL ID: CHEMBL143228
• Mol file: 3608-67-1.mol

Synonyms:(11C)4-MPB;4-(3,5)-exocycloproyl-N-methylpiperidyl diphenylhydroxyacetate;4-(3,5-cyclopropyl)-N-methylpiperidine alpha-hydroxy-alpha-phenylbenzene acetic acid;B 7601;B-7601;enpiperate;enpiperate hydrochloride;N-methyl-4-piperidinyl benzilate;N-methyl-4-piperidyl benzilate;N-methyl-4-piperidylbenzylate

Chemical Property of Enpiperate

Chemical Property:

• Vapor Pressure: 1.16E-07mmHg at 25°C
• Melting Point: 161-162 °C
• Boiling Point: 415.9°Cat760mmHg
• PKA: 11.29±0.29(Predicted)
• Flash Point: 205.3°C
• PSA: 49.77000
• Density: 1.2g/cm³
• LogP: 2.49780
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 325.16779360
• Heavy Atom Count: 24
• Complexity: 387

Purity/Quality:

99.9% ^*data from raw suppliers

1-Methylpiperidin-4-yl2-hydroxy-2,2-diphenylacetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

Technology Process of Enpiperate

There total 12 articles about Enpiperate 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: 25.0%

N-methyl-4-hydroxypiperidine (106-52-5) + methyl benzilate (76-89-1) → N-methyl-4-piperidyl benzilate (3608-67-1)

Guidance literature:

With sodium methylate; In n-heptane; for 15h; Heating;

DOI:10.1248/cpb.46.231

Reference yield:

propiverine hydrochloride (54556-98-8) → N-methyl-4-piperidyl benzilate (3608-67-1) + Benzilic acid (76-93-7) + 2,2-diphenyl-2-propoxyacetic acid [piperid-4-yl] ester + Propiverine N-oxide

Guidance literature:

MnTPFPPCl; In methanol; dichloromethane; at 20 ℃; for 24h; Further byproducts given;

Reference yield:

propiverine hydrochloride (54556-98-8) → benzophenone (119-61-9) + 2,2-diphenyl-2-propoxyethanoic acid (47030-01-3) + N-methyl-4-piperidyl benzilate (3608-67-1) + Benzilic acid (76-93-7) + 2,2-diphenyl-2-propoxyacetic acid [piperid-4-yl] ester + Propiverine N-oxide

Guidance literature:

With 1H-imidazole; dihydrogen peroxide; MnTPFPS₄PCl; In water; at 20 ℃; for 24h; Product distribution; var. of pH, solvent, catalyst;

upstream raw materials:

N-methyl-4-hydroxypiperidine

ethyl benzilate

1-methylpiperidin-4-ol monohydrochloride

2-chloro-2,2-diphenylacetyl chloride

Downstream raw materials:

4-benziloyloxy-1,1-dimethyl-piperidinium; bromide

hydroxy-DAMP

trans 4-benziloyloxy-1-trideuteriomethyl-1-methylpiperidinium bromide

cis 4-benziloyloxy-1-trideuteriomethyl-1-methylpiperidinium bromide

Refernces

• 1、 -. "QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS". Page/Page column 40. . Retrieved 2008/06/13.
• 2、 Froehlich,Pietzyk,Smolinka,Goeber. "Biomimetic investigations of propiverinhydrochloride and 1-methyl-4-piperidyl benzilate". . p. 745 - 747. Retrieved 2007/10/03.