3-Acetamidopiperidine

Base Information

• Chemical Name: 3-Acetamidopiperidine
• CAS No.: 5810-55-9
• Molecular Formula: C7H14N2O
• Molecular Weight: 142.201
• Hs Code.: 29333990
• European Community (EC) Number: 804-081-0
• DSSTox Substance ID: DTXSID10400219
• Nikkaji Number: J2.645.192B
• ChEMBL ID: CHEMBL4574651
• Mol file: 5810-55-9.mol

Synonyms:3-Acetamidopiperidine;5810-55-9;N-(piperidin-3-yl)acetamide;N-piperidin-3-ylacetamide;N-Piperidin-3-yl-acetamide;SCHEMBL1006531;CHEMBL4574651;DTXSID10400219;BCXSCZDWARFWAW-UHFFFAOYSA-N;MFCD05022483;STK500877;AKOS000157026;AKOS016340914;FS-5256;SB41130;SB46270;SB48007;N-(3-Piperidinyl)acetamide, AldrichCPR;AM100988;BB 0218313;CS-0139358;FT-0602798;EN300-43464;C77680;A869528;Z285140960;810-55-9

Chemical Property of 3-Acetamidopiperidine

Chemical Property:

• Vapor Pressure: 0.000361mmHg at 25°C
• Melting Point: 81 °C
• Refractive Index: 1.484
• Boiling Point: 318.5 °C at 760 mmHg
• PKA: 15.94±0.20(Predicted)
• Flash Point: 149.6 °C
• PSA: 41.13000
• Density: 1.02 g/cm³
• LogP: 0.59420
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.110613074
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

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

3-Acetamidopiperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1CCCNC1

Technology Process of 3-Acetamidopiperidine

There total 9 articles about 3-Acetamidopiperidine 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: 72.0%

N-(1-tert-butoxycarbonyl-3-piperidyl)acetamide (129888-62-6) → N-(piperidin3-yl)acetamide (5810-55-9,1286317-53-0)

Guidance literature:

With trifluoroacetic acid; for 0.666667h; Ambient temperature;

DOI:10.1016/0008-6215(90)84017-O

Reference yield: 64.0%

N-(pyridin-3-yl)acetamide (5867-45-8) → N-(piperidin3-yl)acetamide (5810-55-9,1286317-53-0)

Guidance literature:

N-(pyridin-3-yl)acetamide; With hydrogenchloride; In ethanol; water; for 0.166667h; Inert atmosphere;

With platinum(IV) oxide; hydrogen; In ethanol; water; for 24h; under 5171.62 Torr;

Reference yield:

3-hydroxypiperazine (6859-99-0) → N-(piperidin3-yl)acetamide (5810-55-9,1286317-53-0)

Guidance literature:

Multi-step reaction with 5 steps

1: 94 percent / CHCl₃ / 1.5 h / 100 °C

2: 99 percent / NEt₃ / CH₂Cl₂ / 0.5 h / 0 - 5 °C

3: 92 percent / sodium azide / dimethylformamide / 1.5 h / 100 °C

4: 95 percent / hydrogen / 5percent Pd-C / ethyl acetate / 14 h

5: 72 percent / trifluoroacetic acid / 0.67 h / Ambient temperature

With sodium azide; hydrogen; triethylamine; trifluoroacetic acid; palladium on activated charcoal; In dichloromethane; chloroform; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1016/0008-6215(90)84017-O

upstream raw materials:

N-(pyridin-3-yl)acetamide

N-(1-tert-butoxycarbonyl-3-piperidyl)acetamide

pyridin-3-ylamine

3-hydroxypiperazine

Downstream raw materials:

1-phenylmethyl-3-aminopiperidine

N'-(1-benzyl-3-piperidinyl)-N-(2-chloroethyl)urea

3-amino-1-benzylpiperidine dihydrochloride

3-(N-acetamino)-1-benzylpiperidine

Refernces

• 1、 -. "2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME". Page/Page column 17. . Retrieved 2011/05/03.
• 2、 Crider,Lamey,Floss,Cassady,Bradner. "Synthesis of nitrosourea derivatives of pyridine and piperidine as potential anticancer agents.". . p. 848 - 851. Retrieved 2007/10/02.