Alonimid

Base Information

• Chemical Name: Alonimid
• CAS No.: 2897-83-8
• Molecular Formula: C₁₄H₁₃NO₃
• Molecular Weight: 243.262
• Hs Code.: 2933399090
• NSC Number: 162475
• UNII: 14144823D4
• DSSTox Substance ID: DTXSID00863051
• Nikkaji Number: J7.929D
• Wikidata: Q27251564
• NCI Thesaurus Code: C87203
• ChEMBL ID: CHEMBL2104014
• Mol file: 2897-83-8.mol

Synonyms:ALONIMID;Alonimide;2897-83-8;Alonimidum;Alonimida;Alonimid [USAN:INN];Alonimide [INN-French];Alonimidum [INN-Latin];Alonimida [INN-Spanish];spiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione;UNII-14144823D4;2,3-Dihydrospiro(naphthalene-1(4H),3'-piperidine)-2',4,6'-trione;14144823D4;1,2,3,4-Tetrahydronaphthalin-1-spiro-3'-piperidin-4,2',6'-dion;2,3-Dihydrospiro[naphthalene-1(4H), 3'-piperidine]-2',4,6'-trione;Spiro(naphthalene-1(4H),3'-piperidine)-2',4,6'-trione, 2,3-dihydro-;Spiro[naphthalene-1(4H),3'-piperidine]-2',4,6'-trione, 2,3-dihydro-;ALONIMID [USAN];Alonimid (USAN/INN);ALONIMID [INN];SCHEMBL114140;UNII-5890LY0EI1;CHEMBL2104014;DTXSID00863051;WZAIVXXKOAWTGQ-UHFFFAOYSA-N;NSC162475;NSC-162475;D02828;Q27251564;2,3-Dihydro-4H-spiro[naphthalene-1,3'-piperidine]-2',4,6'-trione;2,3-dihydrospiro-[naphthalene-1(4H), 3'-piperidine]-2',4,6'-trione;2,3-dihydrospiro-[naphthalene-1(4H),3'-piperidine]-2',4,6'-trione

Chemical Property of Alonimid

Chemical Property:

• Vapor Pressure: 1.48E-10mmHg at 25°C
• Melting Point: 201-203 °C
• Boiling Point: 510.9°Cat760mmHg
• PKA: 11.55±0.20(Predicted)
• Flash Point: 218.6°C
• PSA: 66.73000
• Density: 1.33g/cm³
• LogP: 1.61340
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 243.08954328
• Heavy Atom Count: 18
• Complexity: 417

Purity/Quality:

99% ^*data from raw suppliers

ALONIMID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2(CCC(=O)NC2=O)C3=CC=CC=C3C1=O
• Uses: Sedativehypnotic.
• Therapeutic Function: Sedative, Hypnotic

Technology Process of Alonimid

There total 4 articles about Alonimid 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:

3-phenyl-2,6-piperdinedione-3-propionic acid (2897-82-7) → 1,2-dihydrospiro-4-oxo-2'6'-dione (2897-83-8)

Guidance literature:

With sulfuric acid; at 90 ℃;

DOI:10.1039/jr9540001377 DOI:10.1039/jr9540001204

Reference yield:

diethyl 4-cyano-4-phenylheptanedioate (61330-07-2) → 1,2-dihydrospiro-4-oxo-2'6'-dione (2897-83-8)

Guidance literature:

With PPA; In chloroform;

Reference yield:

γ-cyano-γ-phenylpimelonitrile (16320-20-0) → 1,2-dihydrospiro-4-oxo-2'6'-dione (2897-83-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous H₂SO₄

2: concentrated sulfuric acid / 90 °C

With sulfuric acid;

DOI:10.1039/jr9540001377

upstream raw materials:

3-phenyl-2,6-piperdinedione-3-propionic acid

γ-cyano-γ-phenylpimelonitrile

diethyl 4-cyano-4-phenylheptanedioate