1-Benzoyl-4-methylpiperidine-4-carboxylic acid

Base Information

• Chemical Name: 1-Benzoyl-4-methylpiperidine-4-carboxylic acid
• CAS No.: 162648-31-9
• Molecular Formula: C14H17NO3
• Molecular Weight: 247.294
• European Community (EC) Number: 898-816-2
• DSSTox Substance ID: DTXSID301246125
• Mol file: 162648-31-9.mol

Synonyms:1-benzoyl-4-methylpiperidine-4-carboxylic acid;162648-31-9;1-Benzoyl-4-methyl-piperidine-4-carboxylic acid;N-Benzoyl-4-methyl isonipecotic acid;1-Benzoyl-4-methyl-4-piperidinecarboxylic acid;SCHEMBL8503467;JKGLTCBDQLNFEM-UHFFFAOYSA-N;DTXSID301246125;MFCD17977034;AKOS012424441;CCG-211345;PS-0335;CS-0447635;EN300-70248;D80120;Z1095226332

Chemical Property of 1-Benzoyl-4-methylpiperidine-4-carboxylic acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 247.12084340
• Heavy Atom Count: 18
• Complexity: 326

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)O

Technology Process of 1-Benzoyl-4-methylpiperidine-4-carboxylic acid

There total 9 articles about 1-Benzoyl-4-methylpiperidine-4-carboxylic acid 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: 100.0%

→ 1-benzoyl-4-methylpiperidine-4-carboxylic acid (162648-31-9)

Guidance literature:

Reference yield: 75.0%

1-benzoyl-4-methylpiperidine-4-carboxylic acid ethyl ester (162648-30-8) → 1-benzoyl-4-methylpiperidine-4-carboxylic acid (162648-31-9)

Guidance literature:

1-benzoyl-4-methylpiperidine-4-carboxylic acid ethyl ester; With water; sodium hydroxide; In ethanol; at 50 ℃; for 5h;

With hydrogenchloride; In water; ethyl acetate; pH=1;

Reference yield:

benzoyl chloride (98-88-4) → 1-benzoyl-4-methylpiperidine-4-carboxylic acid (162648-31-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: triethylamine / dichloromethane / Cooling with ice

2.1: diisopropylamine; n-butyllithium / hexane; tetrahydrofuran / 1.17 h / -78 - 0 °C

2.2: -78 - 20 °C

3.1: sodium hydroxide; water / ethanol / 5 h / 50 °C

3.2: pH 1

With n-butyllithium; water; triethylamine; diisopropylamine; sodium hydroxide; In tetrahydrofuran; ethanol; hexane; dichloromethane;

upstream raw materials:

4-carbethoxypiperidine

benzoyl chloride

ethyl 1-benzoyl-4-piperidine-carboxylate

1-benzoyl-4-methylpiperidine-4-carboxylic acid ethyl ester

Downstream raw materials:

4-methylpiperidine-4-carboxylic acid

(4-fluoro-4-methylpiperidin-1-yl)(phenyl)methanone

4-tert-butoxycarbonylamino-4-methylpiperidine

(1-benzoyl-4-methylpiperidin-4-yl)carbamic acid tert-butyl ester