Rogletimide

Base Information

• Chemical Name: Rogletimide
• CAS No.: 92788-10-8
• Deprecated CAS: 121840-95-7
• Molecular Formula: C₁₂H₁₄N₂O₂
• Molecular Weight: 218.255
• Hs Code.: 2933990090
• NSC Number: 619778
• UNII: 14P4QR28QF
• DSSTox Substance ID: DTXSID60869670
• Nikkaji Number: J227.609G
• Wikipedia: Rogletimide
• Wikidata: Q7359418
• NCI Thesaurus Code: C1427
• ChEMBL ID: CHEMBL289116
• Mol file: 92788-10-8.mol

Synonyms:2-ethyl-2-(4-pyridyl)glutarimide;3-ethyl-3-(4-pyridyl)piperidine-2,6-dione;3-PYG;pyridoglutethimide;rogletimide;rogletimide, (+-)-isomer

Chemical Property of Rogletimide

Chemical Property:

• Boiling Point: 420.5°Cat760mmHg
• Flash Point: 208.1°C
• PSA: 59.06000
• Density: 1.155g/cm³
• LogP: 1.49480
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.105527694
• Heavy Atom Count: 16
• Complexity: 297

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

(+/-)-3-ETHYL-3-(4-PYRIDINYL)-2,6-PIPERIDINEDIONE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CCC(=O)NC1=O)C2=CC=NC=C2

Technology Process of Rogletimide

There total 9 articles about Rogletimide 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: 66.0%

4-Carbamoyl-2-ethyl-2-pyridin-4-yl-butyric acid ethyl ester → rogletimide (92788-10-8,121840-95-7)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; for 2h; Ambient temperature;

DOI:10.1016/S0040-4020(01)89128-6

Reference yield: 56.0%

pyridin-4-yl-acetic acid ethyl ester (54401-85-3) + ethyl iodide (75-03-6) + 2-propenamide (79-06-1,12624-24-7,25038-45-3,27754-57-0,33338-03-3,39387-77-4,68247-81-4,9082-06-8,79079-15-5) → rogletimide (92788-10-8,121840-95-7)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; at 25 ℃;

Reference yield:

4-cyano-4-(4-pyridyl)-hexanenitrile (92788-12-0) → rogletimide (92788-10-8,121840-95-7)

Guidance literature:

With sulfuric acid; In acetic acid; for 3h; Heating;

DOI:10.1021/jm00392a004

upstream raw materials:

pyridin-4-yl-acetic acid ethyl ester

ethyl iodide

2-propenamide

4-cyano-4-(4-pyridyl)-hexanenitrile

Downstream raw materials:

3-ethyl-1-octyl-3-(4-pyridyl)piperidine-2,6-dione

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