Methyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate

Base Information

• Chemical Name: Methyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate
• CAS No.: 627098-37-7
• Molecular Formula: C₂₃H₃₄FNO₂
• Molecular Weight: 375.527
• DSSTox Substance ID: DTXSID70430815
• Mol file: 627098-37-7.mol

Synonyms:methyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate;SCHEMBL4507925;DTXSID70430815;NTYATEQGMUSJQM-UHFFFAOYSA-N;FT-0644806;A833944;1-methyl-3-carbomethoxy-4-(4-fluorophenyl)-piperidine;4-(4-fluorophenyl)-1-methyl-piperidine-3-carboxylic acid methyl ester;4-(4-Fluo2-isopropyl-5-methylcyclohexyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylaterophenyl)-1-methyl-3-piperidinecarboxylic acid methyl ester

Chemical Property of Methyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.509
• Boiling Point: 315.774°C at 760 mmHg
• Flash Point: 144.775°C
• PSA: 29.54000
• Density: 1.124g/cm³
• LogP: 4.80290
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 251.13215698
• Heavy Atom Count: 18
• Complexity: 290

Purity/Quality:

97% ^*data from raw suppliers

1-METHYL-4-(4-FLUOROPHENYL)PIPERIDINE-3-CARBOXYLIC ACID MENTHYL ESTER 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(C(C1)C(=O)OC)C2=CC=C(C=C2)F

Technology Process of Methyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate

There total 2 articles about Methyl 4-(4-fluorophenyl)-1-methylpiperidine-3-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:

4-flourophenylmagnesium bromide (352-13-6) + 1-Methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester → (3R,4S)-4-(4-Fluoro-phenyl)-1-methyl-piperidine-3-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester (627098-37-7) + (3S,4R)-4-(4-Fluoro-phenyl)-1-methyl-piperidine-3-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester (627098-37-7)

Guidance literature:

With potassium tert-butylate; In diethyl ether; toluene; at -10 - 0 ℃;

DOI:10.1016/S0040-4039(03)01192-4

Reference yield:

4-flourophenylmagnesium bromide (352-13-6) + 1-Methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester → (3R,4S)-4-(4-Fluoro-phenyl)-1-methyl-piperidine-3-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester (627098-37-7) + (3S,4R)-4-(4-Fluoro-phenyl)-1-methyl-piperidine-3-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester (627098-37-7)

Guidance literature:

With potassium tert-butylate; In diethyl ether; toluene; at -10 - 0 ℃;

DOI:10.1016/S0040-4039(03)01192-4

upstream raw materials:

4-flourophenylmagnesium bromide