Pemoline

Base Information

• Chemical Name: Pemoline
• CAS No.: 2152-34-3
• Molecular Formula: C9H8N2O2
• Molecular Weight: 176.175
• Hs Code.: 2934999090
• European Community (EC) Number: 218-438-8
• NSC Number: 169499,25159
• UNII: 7GAQ2332NK
• Nikkaji Number: J4.432F
• Wikipedia: Pemoline
• NCI Thesaurus Code: C47655
• Pharos Ligand ID: PQ163RNH3XGB
• Metabolomics Workbench ID: 67484
• ChEMBL ID: CHEMBL1177
• Mol file: 2152-34-3.mol

Synonyms:Compounds, Pemoline;Cylert;Magnesium, Pemoline;PemADD;Pemoline;Pemoline Compounds;Pemoline Magnesium;Phenoxazole;Phenylisohydantoin;Tradon

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Chemical Property of Pemoline

Chemical Property:

• Appearance/Colour: White to off-white crystalline powder
• Melting Point: 255-256 °C
• Refractive Index: 1.5570 (estimate)
• Boiling Point: 313.561 °C at 760 mmHg
• PKA: pKa 10.5 (Uncertain)
• Flash Point: 143.437 °C
• PSA: 64.68000
• Density: 1.4 g/cm³
• LogP: 0.73510
• Storage Temp.: Store at RT
• Solubility.: DMSO: soluble28mg/mL
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.058577502
• Heavy Atom Count: 13
• Complexity: 244

Purity/Quality:

Safty Information:

• Pictogram(s): Xn,C,F
• Hazard Codes: Xn,C,F,T
• Statements: 22-34-11-20/21/22
• Safety Statements: 16-26-36/37/39-45-36/37-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2C(=O)N=C(O2)N
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• Recent EU Clinical Trials: A Phase II, randomised, multi-centric, multi-national clinical trial to evaluate the efficacy, tolerability, and safety of a fixed dose combination of Spironolactone, Pioglitazone & Metformin (SPIOMET) for adolescent girls and young adult women (AYAs) with polycystic ovary syndrome (PCOS)
• Uses: A CNS stimulant. Controlled Substance
• Therapeutic Function: Psychostimulant

Technology Process of Pemoline

There total 7 articles about Pemoline 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: 89.0%

guanidine nitrate (113-00-8) + MANDELIC ACID (611-71-2,611-72-3,17199-29-0,90-64-2) → 2-amino-5-phenyl-4-oxazolinone (2152-34-3,3469-01-0)

Guidance literature:

MANDELIC ACID; With sulfuric acid; In ethanol;

guanidine nitrate; With sodium hydroxide;

DOI:10.1021/acscatal.1c04354

Reference yield: 85.0%

→ 2-amino-5-phenyl-4-oxazolinone (2152-34-3,3469-01-0)

Guidance literature:

Reference yield: 82.0%

guanidine hydrochloride (50-01-1) + hydroxy-phenyl-acetic acid ethyl ester (774-40-3,4358-88-7) → 2-amino-5-phenyl-4-oxazolinone (2152-34-3,3469-01-0)

Guidance literature:

guanidine hydrochloride; With sodium hydroxide; In ethanol; for 0.0833333h; Reflux;

hydroxy-phenyl-acetic acid ethyl ester; In ethanol; for 0.5h; Reflux;

DOI:10.1039/c4ob00091a

upstream raw materials:

guanidine nitrate

hydroxy-phenyl-acetic acid ethyl ester

thiourea

aniline

Downstream raw materials:

2-morpholin-4-yl-5-phenyl-oxazol-4-one

5-phenyl-2-(4-phenyl-piperazin-1-yl)-oxazol-4-one

2-(4-benzyl-piperazin-1-yl)-5-phenyl-oxazol-4-one

2-Amino-5-phenyl-5-piperidin-1-ylmethyl-oxazol-4-one

Refernces

• 1、 Ku?, Piotr,Jones, Peter G.,Celiński, Rafa?. "Structure elucidation of 2-amino-5-phenyl-2-oxazolin-4-one (pemoline) and X-ray structure of its hydrolysis product 5-phenyl-oxazolidine-2,4-dione". . p. 853 - 857. Retrieved 2005.
• 2、 Shen, Lingyun,Chen, Zhe-Ning,Zheng, Qingshu,Wu, Jiajie,Xu, Xin,Tu, Tao. "Selective Transformation of Vicinal Glycols to α-Hydroxy Acetates in Water via a Dehydrogenation and Oxidization Relay Process by a Self-Supported Single-Site Iridium Catalyst". . p. 12833 - 12839. Retrieved 2021/10/29.