P-(Piperidinocarbonyl)-,benzoic acid methyl ester

Base Information

• Chemical Name: P-(Piperidinocarbonyl)-,benzoic acid methyl ester
• CAS No.: 6757-32-0
• Molecular Formula: C14H17NO3
• Molecular Weight: 247.294
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID701276263
• Nikkaji Number: J2.427.122F
• Mol file: 6757-32-0.mol

Synonyms:6757-32-0;P-(PIPERIDINOCARBONYL)-,BENZOIC ACID METHYL ESTER;Methyl 4-(1-piperidinylcarbonyl)benzoate;Oprea1_393279;Oprea1_594579;Oprea1_720092;SCHEMBL23675251;DTXSID701276263;AKOS000635245;1-[4-(Methoxycarbonyl)benzoyl]piperidine;Methyl 4-(piperidin-1-ylcarbonyl)benzoate;benzoic acid,4-(1-piperidinylcarbonyl)-,methyl ester

Chemical Property of P-(Piperidinocarbonyl)-,benzoic acid methyl ester

Chemical Property:

• PSA: 46.61000
• LogP: 2.03720
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 247.12084340
• Heavy Atom Count: 18
• Complexity: 302

Purity/Quality:

95% ^*data from raw suppliers

P-(PIPERIDINOCARBONYL)-,BENZOICACIDMETHYLESTER 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)C(=O)N2CCCCC2

Technology Process of P-(Piperidinocarbonyl)-,benzoic acid methyl ester

There total 11 articles about P-(Piperidinocarbonyl)-,benzoic acid methyl ester 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: 95.0%

di(piperidin-1-yl)methanethione (1013-92-9) + 4-methoxycarbonylphenylboronic acid (99768-12-4) → 4-(piperidine-1-carbonyl)benzoic acid methyl ester (6757-32-0)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; silver carbonate; In 2,2,2-trifluoroethanol; at 90 ℃; for 4h;

DOI:10.1002/cctc.202001099

Reference yield: 92.0%

piperidine (110-89-4) + 4-Methoxycarbonylbenzoyl chloride (7377-26-6) → 4-(piperidine-1-carbonyl)benzoic acid methyl ester (6757-32-0)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c00263

Reference yield: 91.0%

piperidine (110-89-4) + Methyl 4-chlorobenzoate (1126-46-1) + carbon monoxide (201230-82-2) → 4-(piperidine-1-carbonyl)benzoic acid methyl ester (6757-32-0)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine; dicobalt octacarbonyl; In tert-Amyl alcohol; for 48h; under 1520.1 Torr; Irradiation;

DOI:10.1039/d0sc02178d

upstream raw materials:

piperidine

methyl 4-formylbenzoate

4-methyl-benzoic acid methyl ester

carbon monoxide

Downstream raw materials:

4-(piperidine-1-carbonyl)benzoic acid

N,N-piperidyl-1-p-tolylmethanamine

4-(piperidinomethyl)benzoic acid methyl ester

Refernces

• 1、 Bera, Jitendra K.,Pandey, Pragati. "Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex". supporting information. p. 9204 - 9207. Retrieved 2021/09/20.
• 2、 Gaisina, Irina N.,Peet, Norton P.,Wong, Letitia,Schafer, Adam M.,Cheng, Han,Anantpadma, Manu,Davey, Robert A.,Thatcher, Gregory R. J.,Rong, Lijun. "Discovery and Structural Optimization of 4-(Aminomethyl)benzamides as Potent Entry Inhibitors of Ebola and Marburg Virus Infections". . p. 7211 - 7225. Retrieved 2020/09/11.