Methyl 4-(piperidin-1-yl)benzoate

Base Information

• Chemical Name: Methyl 4-(piperidin-1-yl)benzoate
• CAS No.: 10338-58-6
• Molecular Formula: C13H17 N O2
• Molecular Weight: 219.283
• Hs Code.: 2933399090
• European Community (EC) Number: 807-736-9
• DSSTox Substance ID: DTXSID20569225
• Nikkaji Number: J385.423J
• Wikidata: Q82456330
• Mol file: 10338-58-6.mol

Synonyms:Methyl 4-(piperidin-1-yl)benzoate;10338-58-6;Methyl 4-piperidinobenzenecarboxylate;methyl 4-piperidin-1-ylbenzoate;4-piperidin-1-yl-benzoic acid methyl ester;SCHEMBL5742108;DTXSID20569225;MFCD08444024;N-(p-methoxycarbonylphenyl)piperidine;AKOS005072419;EA-0710;SB43406;CS-0440088;A896475;J-522260

Chemical Property of Methyl 4-(piperidin-1-yl)benzoate

Chemical Property:

• Vapor Pressure: 3.29E-05mmHg at 25°C
• Melting Point: 94-96°C
• Refractive Index: 1.542
• Boiling Point: 354.7°Cat760mmHg
• Flash Point: 137.7°C
• PSA: 29.54000
• Density: 1.098g/cm³
• LogP: 2.52850
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 228

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl4-Piperidinobenzenecarboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-(piperidin-1-yl)benzoate

There total 12 articles about Methyl 4-(piperidin-1-yl)benzoate 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: 97.0%

methanol (67-56-1) + 4-piperidin-1-yl-benzoic acid (22090-24-0) → N-(4-[methyl 4-benzoxycarbonyl])piperidine (10338-58-6)

Guidance literature:

With thionyl chloride; for 5h;

DOI:10.1080/00304948.2017.1260396

Reference yield: 82.0%

piperidine (110-89-4) + methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (171364-80-0) → N-(4-[methyl 4-benzoxycarbonyl])piperidine (10338-58-6)

Guidance literature:

With copper diacetate; boric acid; In acetonitrile; at 80 ℃; for 24h; Molecular sieve; Sealed tube;

DOI:10.1021/jacs.6b12800

Reference yield: 79.0%

piperidine (110-89-4) + 4-(methoxycarbonyl)phenyl(2,4,6-trimethoxyphenyl)iodanium trifluoroacetate → N-(4-[methyl 4-benzoxycarbonyl])piperidine (10338-58-6)

Guidance literature:

With potassium fluoride; In water; 1,2-dichloro-ethane; at 70 ℃; for 24h; Sealed tube;

DOI:10.1002/anie.201610086

upstream raw materials:

Glutaraldehyde

4-methoxycarbonyl aniline

piperidine

4-carbomethoxyphenyl triflate

Downstream raw materials:

4-piperidin-1-yl-benzoic acid

methyl 3-nitro-4-(piperidin-1-yl)benzoate

1-(4-methoxycarbonylphenyl)pyrrolidin-2-one

(4-(piperidin-1-yl)phenyl)methanol

Refernces

• 1、 Verardo,Giumanini,Favret,Strazzolini. "Reductive one batch synthesis of N-arylpiperidines from primary amines and glutaraldehyde". . p. 447 - 450. Retrieved 1991.
• 2、 Mudithanapelli, Chandrashekar,Kim, Mi-Hyun. "Metal-free late-stage C(sp2)-H functionalization of: N -aryl amines with various sodium salts". . p. 450 - 464. Retrieved 2020/02/03.
• 3、 Mudithanapelli, Chandrashekar,Dhorma, Lama Prema,Kim, Mi-Hyun. "PIFA-Promoted, Solvent-Controlled Selective Functionalization of C(sp2)-H or C(sp3)-H: Nitration via C-N Bond Cleavage of CH3NO2, Cyanation, or Oxygenation in Water". supporting information. . Retrieved 2019/05/07.