CID 16219847

Base Information

• Chemical Name: CID 16219847
• CAS No.: 57-33-0
• Molecular Formula: C11H18N2NaO3
• Molecular Weight: 248.257
• Mol file: 57-33-0.mol

Synonyms:SCHEMBL26057;AKOS030242467

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of CID 16219847

Chemical Property:

• Appearance/Colour: Crystalline granules or white powder
• Melting Point: 127 °C (decomp)
• PSA: 81.59000
• LogP: 1.02630
• Solubility.: H2O: soluble
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 249.12151172
• Heavy Atom Count: 17
• Complexity: 305

Purity/Quality:

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC.[Na]
• Description: Barbituric acid, the precursor of barbiturates, was first produced in 1864 by condensation of malonic acid and urea; it had no central nervous system (CNS) effects. In 1903, diethyl barbituric acid (barbital) was created as the first barbiturate with CNS inhibitory effects. Barbiturates were commonly used as sedative-hypnotics in the mid-twentieth century; meantime they were abused by some people as sold on the street. Use of barbiturates quickly dropped after introduction of benzodiazepines as the safer sedative-hypnotics. However some of the barbiturates are still used as anticonvulsants and some for euthanasia.
• Uses: Sedative, hypnoyic. Controlled substance (depressant). Human Pentobarbital as sodium salt has been used as a sedative and hypnotic in the short-term management of insomnia. Pentobarbital sodium has also been used for premedication in anesthetic procedures. Pentobarbital is FDA-approved for the emergency control of certain acute convulsive episodes, e.g., those associated with status epilepticus, cholera, eclampsia, meningitis, tetanus, and toxic reactions to strychnine or local anesthetics. The other indications for pentobarbital include treatment of nonfatal submersion and traumatic/nontraumatic raised intracranial pressure. Animal Intraperitoneal (IP) injection of pentobarbital is used in experimental medicine as an anesthetic in small animals such as rat and mouse. Pentobarbital is an important drug for relieving convulsive seizures, especially when caused by strychnine.
• Therapeutic Function: Hypnotic, Sedative

Technology Process of CID 16219847

There total 2 articles about CID 16219847 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: 97.96%

pentobarbital (76-74-4) → nembutal (57-33-0)

Guidance literature:

With sodium methylate; In methanol; acetone; at 0 ℃; for 1.5h; Temperature;

Reference yield:

C11H17N2O3(1-)*C56H98O35*Na(1+) → heptakis(2,6-di-O-methyl)cyclomaltoheptaose (51166-71-3) + nembutal (57-33-0)

Guidance literature:

With pluronic copolymer F₂₉₉; In water; at 25 ℃; Reagent/catalyst; Equilibrium constant;

DOI:10.1021/la100596q

Reference yield: 20.0%

nembutal (57-33-0) → thiopentone (76-75-5,20224-43-5,21045-47-6)

Guidance literature:

nembutal; With hydrogenchloride; In dichloromethane; at 20 ℃; for 0.166667h;

With Lawessons reagent; methoxybenzene; for 150h; Reflux;

DOI:10.1074/jbc.M116.766964

upstream raw materials:

pentobarbital

Downstream raw materials:

thiopentone

Refernces

• 1、 Valero, Margarita,Dreiss, Cecile A.. "Growth, shrinking, and breaking of pluronic micelles in the presence of drugs and/or β-cyclodextrin, a study by small-angle neutron scattering and fluorescence spectroscopy". experimental part. p. 10561 - 10571. Retrieved 2011/01/12.