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

Base Information

• Chemical Name: Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
• CAS No.: 3939-01-3
• Molecular Formula: C14H17 N O3 . Cl H
• Molecular Weight: 283.755
• Hs Code.: 29339900
• European Community (EC) Number: 223-522-2
• DSSTox Substance ID: DTXSID80960072
• Mol file: 3939-01-3.mol

Synonyms:3939-01-3;Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride;Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride;Methyl 1-benzyl-4-oxo-3-piperidine-carboxylate hydrochloride;1-Benzyl-3-carbomethoxy-4-piperidone hydrochloride;1-Benzyl-3-methoxycarbonyl-4-piperidone Hydrochloride;Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate, HCl;MFCD00012799;methyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride;METHYL 1-BENZYL-4-OXOPIPERIDINE-3-CARBOXYLATE HCL;SCHEMBL719130;AMY3970;DTXSID80960072;EINECS 223-522-2;AKOS015847159;AC-1762;CS-W002080;SB41039;SY020177;TS-01013;FT-0635068;M2531;1-benzyl-3-carbomethoxy-4-piperidone-hydrochloride;methyl 1-benzyl-4-oxo-3-piperidine-carboxylate HCl;W-106445;1-benzyl-3-methoxycarbonyl-4-oxopiperidine hydrochloride;Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride (1:1);Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride, 95%;1-Benzyl-4-oxo-3-piperidinecarboxylic Acid Methyl Ester Hydrochloride;1-benzyl-4-oxo-piperidine-3-carboxylic acid methyl ester hydrochloride;1-benzyl-4-oxo-piperidine-3-carboxylic acid methyl ester hydrochloride salt;1-benzyl-4-oxopiperidine-3-carboxylic acid methyl ester hydrochloride;Methyl 1-benzyl-4-oxopiperidine-3-carboxylate--hydrogen chloride (1/1);4-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid methyl ester, hydrochloride;5-[1-METHYL-2-(3-METHYL-2-THIAZOLIDINYLIDENE)ETHYLIDENE]-4-OXO-2-THIOXO-3-THIAZOLIDINEACETICACID

Chemical Property of Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride

Chemical Property:

• Appearance/Colour: white to pink crystalline powder
• Vapor Pressure: 1.5E-05mmHg at 25°C
• Melting Point: 185 ºC (dec.)
• Boiling Point: 366°Cat760mmHg
• Flash Point: 175.2°C
• PSA: 46.61000
• Density: g/cm³
• LogP: 1.99050
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 283.0975211
• Heavy Atom Count: 19
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

Methyl 1-Benzyl-4-oxo-3-piperidinecarboxylate Hydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1CN(CCC1=O)CC2=CC=CC=C2.Cl
• Uses: Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate, HCl Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride (1-Benzyl-3-carbomethoxy-4-piperidone hydrochloride) may be used in chemical synthesis.

Technology Process of Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride

There total 3 articles about Methyl 1-benzyl-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: 97.8%

1-phenylmethyl-4-piperidone (3612-20-2) + carbonic acid dimethyl ester (616-38-6) → methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride (3939-01-3)

Guidance literature:

With hydrogenchloride; potassium tert-butylate; In toluene;

Reference yield:

bis(2-methoxycarbonylethyl)benzylamine (793-19-1) → methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride (3939-01-3)

Guidance literature:

With sodium methylate; at 100 ℃; for 3h; Yield given; in xylene or toluene;

DOI:10.1002/jhet.5570270708

Reference yield:

benzylamine (100-46-9) → methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride (3939-01-3)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / Heating

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

With sodium methylate; In methanol;

DOI:10.1002/jhet.5570270708

upstream raw materials:

bis(2-methoxycarbonylethyl)benzylamine

benzylamine

1-phenylmethyl-4-piperidone

carbonic acid dimethyl ester

Downstream raw materials:

2-benzyl-6-methyl-1,2,3,4-tetrahydro-11H-dipyrido<1,2-a:4,3-d>pyrimidin-11-one

2-benzyl-8-chloro-1,2,3,4-tetrahydro-11H-dipyrido<1,2-a:4,3-d>pyrimidin-

2-benzyl-7-bromo-1,2,3,4-tetrahydro-11H-dipyrido<1,2-a:4,3-d>pyrimidin-11-one

6-benzyl-2-methyl-5,6,7,8-tetrahydro-3H-pyrido<4,3-d>pyrimidin-4-one

Refernces

• 1、 -. "Process for preparing growth hormone secretagogues". . . Retrieved 2008/06/13.