Methyl 4-oxopiperidine-3-carboxylate hydrochloride

Base Information

• Chemical Name: Methyl 4-oxopiperidine-3-carboxylate hydrochloride
• CAS No.: 71486-53-8
• Molecular Formula: C7H11NO3^.HCl
• Molecular Weight: 193.63
• Hs Code.: 29333990
• European Community (EC) Number: 275-526-9
• DSSTox Substance ID: DTXSID00991924
• Mol file: 71486-53-8.mol

Synonyms:71486-53-8;Methyl 4-oxopiperidine-3-carboxylate hydrochloride;Methyl 4-oxo-3-piperidinecarboxylate hydrochloride;56026-52-9;3-Methoxycarbonyl-4-piperidone hydrochloride;Methyl 4-oxopiperidine-3-carboxylate HCl;Methyl 4-oxopiperidine-3-carboxylate xhydrochloride;EINECS 275-526-9;MFCD00012769;4-Oxo-piperidine-3-carboxylic acid methyl ester hydrochloride;3-Piperidinecarboxylicacid, 4-oxo-, methyl ester;methyl 4-oxopiperidine-3-carboxylate;hydrochloride;3-Piperidinecarboxylic acid, 4-oxo-, methyl ester, hydrochloride;methyl4-oxo-3-piperidinecarboxylatehydrochlori;C7H11NO3.ClH;methyl-4-oxo-3-piperidine carboxylate hydrochloride;SCHEMBL653032;C7-H11-N-O3.Cl-H;DTXSID00991924;NMAACQILAGCQPR-UHFFFAOYSA-N;3-methoxycarbonyl 4-piperidone HCl;Ethyl1H-1,2,4-triazol-5-ylacetate;AKOS015848538;AC-7306;SB38424;DS-14374;methyl-4-oxo-3-piperdine carboxylate HCl;SY005609;methyl-4-oxo-3-piperidine carboxylate HCl;A9356;AM20100676;FT-0641352;FT-0659946;M2852;EN300-748954;methyl 4-oxo-3-piperdinecarboxylate hydrochloride;Methyl 4-oxo-3-piperidinecarboxylate hydrochlorid;A830893;Methyl 4-oxo-3-piperidine-carboylate hydrochloride;J-522387;Q-102136;Methyl 4-oxo-3-piperidinecarboxylate hydrochloride, 97%;4-oxo-3-piperidinecarboxylic acid methyl ester hydrochloride;4-Oxo-piperidin-3-carboxylic acid methyl ester hydrochloride;4-Oxopiperidine-3-carboxylic Acid Methyl Ester Hydrochloride;Methyl 4-oxopiperidine-3-carboxylate--hydrogen chloride (1/1)

Chemical Property of Methyl 4-oxopiperidine-3-carboxylate hydrochloride

Chemical Property:

• Appearance/Colour: white or cream-colored powder
• Melting Point: ~175 °C
• Boiling Point: 249.4 °C at 760 mmHg
• Flash Point: 104.6 °C
• PSA: 55.40000
• LogP: 0.46880
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 193.0505709
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl 4-Oxopiperidine-3-carboxylate Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1CNCCC1=O.Cl
• Uses: Methyl 4-oxo-3-piperidinecarboxylate hydrochloride has been used as starting reagent in the synthesis of:nakadomarin Atert-butyl, picolyl and fluorinated analogs of capromorelin

Technology Process of Methyl 4-oxopiperidine-3-carboxylate hydrochloride

There total 2 articles about Methyl 4-oxopiperidine-3-carboxylate hydrochloride 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%

methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride (3939-01-3) → methyl 4-oxo-3-piperidinecarboxylate hydrochloride (71486-53-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; acetic acid; In water; at 20 ℃; for 15h;

DOI:10.1002/ejoc.201402108

Reference yield:

bis(2-methoxycarbonylethyl)benzylamine (793-19-1) → methyl 4-oxo-3-piperidinecarboxylate hydrochloride (71486-53-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium methoxide / 3 h / 100 °C / in xylene or toluene

2: 92 percent / hydrogen / 10 percent Pd/C / aq. acetic acid

With hydrogen; sodium methylate; palladium on activated charcoal; In acetic acid;

DOI:10.1002/jhet.5570270708

Reference yield: 100.0%

methyl 4-oxo-3-piperidinecarboxylate hydrochloride (71486-53-8) + methyl chloroformate (79-22-1) → methyl 3-carbomethoxy-4-oxo-1-piperidinecarboxylate (31633-70-2,93757-83-6)

Guidance literature:

With sodium hydrogencarbonate; In diethyl ether; for 0.5h;

DOI:10.1021/jm00156a030

upstream raw materials:

methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride

bis(2-methoxycarbonylethyl)benzylamine

Downstream raw materials:

1,2,3,4-tetrahydro-8,9-dimethoxy-5H-[1]benzopyrano[3,4-c]pyridin-5-one

methyl 4-oxo-1-triphenylmethyl-3-piperidinecarboxylate

2-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

1-oxo-1,3-piperidinedicarboxylic acid 1-benzyl ester 3-methyl ester