Methyl 3-(2-oxopiperidin-1-yl)benzoate

Base Information

Chemical Name:Methyl 3-(2-oxopiperidin-1-yl)benzoate
CAS No.:168162-28-5
Molecular Formula:C13H15 N O3
Molecular Weight:233.267
Hs Code.:2933790090
DSSTox Substance ID:DTXSID50443448
Wikidata:Q82261277
Mol file:168162-28-5.mol

Synonyms:Methyl 3-(2-oxopiperidin-1-yl)benzoate;168162-28-5;3-(2-oxo-piperidin-1-yl)benzoic acid methyl ester;3-(2-OXO-PIPERIDIN-1-YL)-BENZOIC ACID METHYL ESTER;SCHEMBL8549075;DTXSID50443448;WBIOFNUPQLMBOK-UHFFFAOYSA-N;AKOS015911105;Methyl 3-(2-oxo-1-piperidinyl)benzoate;FT-0768561;Benzoic acid,3-(2-oxo-1-piperidinyl)-,methyl ester

Suppliers and Price of Methyl 3-(2-oxopiperidin-1-yl)benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
3-(2-OXO-PIPERIDIN-1-YL)-BENZOIC ACID METHYL ESTER 96.00%
1G
$ 1928.85

Total 3 raw suppliers

Chemical Property of Methyl 3-(2-oxopiperidin-1-yl)benzoate

Chemical Property:

PSA：46.61000
LogP:2.05510
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:233.10519334
Heavy Atom Count:17
Complexity:303

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

3-(2-OXO-PIPERIDIN-1-YL)-BENZOIC ACID METHYL ESTER 96.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-(2-oxopiperidin-1-yl)benzoate

There total 8 articles about Methyl 3-(2-oxopiperidin-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: 56.0%

: 168162-28-5
methyl 3-(2-oxopiperidin-1-yl)benzoate

Guidance literature:

Reference yield:

: 4518-10-9
Methyl 3-aminobenzoate

: 168162-28-5
methyl 3-(2-oxopiperidin-1-yl)benzoate

Guidance literature:: Multi-step reaction with 4 steps

1: 32 percent / pyridine / CH₂Cl₂ / Ambient temperature

2: 1.) 9-BBN, 2.) 1M aq. NaOH, 27percent aq. H₂O₂ / 1.) THF, RT, 3 h, 2.) THF, 40 deg C, 1 h

3: CBr₄, PPh₃ / CH₂Cl₂ / 2 h / Ambient temperature

4: 1.) NaH, 2.) KI / 1.) DMF, RT, 10 min, 2.) DMF, 70 deg C, 4 h

With pyridine; sodium hydroxide; 9-borabicyclo[3.3.1]nonane dimer; carbon tetrabromide; dihydrogen peroxide; sodium hydride; triphenylphosphine; potassium iodide; In dichloromethane;
DOI:10.1021/jm960669+

Reference yield:

: 591-80-0
pent-4-enoic acid

: 168162-28-5
methyl 3-(2-oxopiperidin-1-yl)benzoate

Guidance literature:: Multi-step reaction with 5 steps

1: SOCl₂ / 1 h / Ambient temperature

2: 32 percent / pyridine / CH₂Cl₂ / Ambient temperature

3: 1.) 9-BBN, 2.) 1M aq. NaOH, 27percent aq. H₂O₂ / 1.) THF, RT, 3 h, 2.) THF, 40 deg C, 1 h

4: CBr₄, PPh₃ / CH₂Cl₂ / 2 h / Ambient temperature

5: 1.) NaH, 2.) KI / 1.) DMF, RT, 10 min, 2.) DMF, 70 deg C, 4 h

With pyridine; sodium hydroxide; 9-borabicyclo[3.3.1]nonane dimer; thionyl chloride; carbon tetrabromide; dihydrogen peroxide; sodium hydride; triphenylphosphine; potassium iodide; In dichloromethane;
DOI:10.1021/jm960669+