Propofol

Base Information

• Chemical Name: Propofol
• CAS No.: 2078-54-8
• Deprecated CAS: 28449-97-0,50356-15-5,50356-15-5
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• Hs Code.: 29089990
• European Community (EC) Number: 218-206-6
• NSC Number: 758909,5105
• UNII: YI7VU623SF
• DSSTox Substance ID: DTXSID6023523
• Nikkaji Number: J102.606B
• Wikipedia: Propofol
• Wikidata: Q422740
• NCI Thesaurus Code: C29384
• RXCUI: 8782
• Pharos Ligand ID: DUNCLN3HNHXJ
• Metabolomics Workbench ID: 43108
• ChEMBL ID: CHEMBL526
• Mol file: 2078-54-8.mol

Synonyms:2,6 Diisopropylphenol;2,6-Bis(1-methylethyl)phenol;2,6-Diisopropylphenol;Aquafol;Diprivan;Disoprivan;Disoprofol;Fresofol;ICI 35,868;ICI 35868;ICI-35,868;ICI-35868;ICI35,868;ICI35868;Ivofol;Propofol;Propofol Abbott;Propofol Fresenius;Propofol MCT;Propofol Rovi;Propofol-Lipuro;Recofol

Chemical Property of Propofol

Chemical Property:

• Appearance/Colour: light yellow liquid
• Vapor Pressure: 5.6 mm Hg ( 100 °C)
• Melting Point: 18 °C(lit.)
• Refractive Index: n20/D 1.514(lit.)
• Boiling Point: 256 °C at 760 mmHg
• PKA: pKa 11.10(H2O,t =20)(Approximate)
• Flash Point: 107.5 °C
• PSA: 20.23000
• Density: 0.948 g/cm³
• LogP: 3.63900
• Storage Temp.: 0-6°C
• Solubility.: Very slightly soluble in water, miscible with hexane and with methanol
• Water Solubility.: Very slightly soluble in water.
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 135

Purity/Quality:

99%, ^*data from raw suppliers

2,6-Diisopropylphenol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,T,F
• Statements: 22-36/37/38-20/21/22-39/23/24/25-23/24/25-11
• Safety Statements: 26-36/37/39-37/39-36-45-36/37-16-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Drug Classes: Anesthetics
• Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)O
• Recent ClinicalTrials: Efficacy and Safety of Fospropofol Disodium Versus Propofol for Sedation in Mechanically Ventilated ICU Patients
• Recent EU Clinical Trials: Evaluation of the effect of Opioid-Free Anesthesia on oxygenation in bariatric surgery
• Recent NIPH Clinical Trials: A study on the efficacy of the loss of response to jaw thrust as a clinical test to assess adequate depth of anesthesia using remimazolam besylate and the dose required for the loss of response.
• General Description: Propofol is a widely used intravenous anesthetic known for its rapid onset and short duration of action. It potentiates GABA_A receptor activity, enhancing inhibitory neurotransmission in the brain. Recent research has explored photochromic derivatives like azopropofols (e.g., AP2), which exhibit light-sensitive modulation of GABA_A receptors, enabling reversible anesthesia under optical control. These advancements highlight propofol's role as a foundational compound for developing novel anesthetics with tunable properties.

Technology Process of Propofol

There total 62 articles about Propofol 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: 90.0%

4-Chloropropofol (91561-75-0) → 2,6-diisopropylphenol (2078-54-8)

Guidance literature:

4-Chloropropofol; With hydrogen; sodium hydroxide; 5%-palladium/activated carbon; In water; at 20 - 25 ℃; under 2250.23 - 3750.38 Torr;

With hydrogenchloride; In water;

Reference yield: 57.9%

isopropyl alcohol (67-63-0,8013-70-5) + phenol (108-95-2,27073-41-2) → 2-(1-methylethyl)phenol (88-69-7) + 4-Isopropylphenol (99-89-8) + 5-propylphenol (644-35-9) + 2,6-diisopropylphenol (2078-54-8)

Guidance literature:

With supercritical water; at 399.84 ℃; for 1h; Further Variations:; Time; Kinetics;

DOI:10.1039/b104184n

Reference yield: 13.3%

isopropyl alcohol (67-63-0,8013-70-5) + phenol (108-95-2,27073-41-2) → 2-(1-methylethyl)phenol (88-69-7) + 4-Isopropylphenol (99-89-8) + 2,6-diisopropylphenol (2078-54-8) + isopropoxybenzene (2741-16-4)

Guidance literature:

With HMCM-49/MCM-41 composite; at 180 ℃; for 1h; under 760.051 Torr; Flow reactor;

DOI:10.1166/jnn.2017.13017

upstream raw materials:

2,4-diisopropylphenol

ethanol

2-methoxy-phenol

benzene-1,2-diol

Downstream raw materials:

2,6-diisopropyl-4-(1-phenyl-ethyl)-phenol

[2-(2,6-diisopropyl-phenoxy)-ethyl]-diisopropyl-amine

[2-(2,6-diisopropyl-phenoxy)-ethyl]-dimethyl-amine

diethyl-[2-(2,6-diisopropyl-phenoxy)-ethyl]-amine

Refernces

Azo-propofols: Photochromic potentiators of GABA_A receptors

10.1002/anie.201205475

The study explores the development of azobenzene derivatives of propofol, termed azopropofols (AP1–16), which function as photochromic potentiators of GABAA receptors. GABAA receptors are crucial in the mammalian brain, mediating inhibitory neurotransmission through chloride ion channels when activated by GABA. The researchers synthesized these azopropofols using classical diazo-coupling chemistry. The most promising compound, AP2, has an amino substituent that shifts its absorption spectrum, allowing it to be activated by light. In the dark, AP2 potentiates GABA-induced chloride currents more effectively than propofol itself, although its efficacy is slightly reduced. Upon exposure to light, the potentiation effect is rapidly reversed, demonstrating the compound's photochromic properties. The study also investigates AP2's anesthetic activity in tadpoles, showing that it induces anesthesia in the dark, which can be photoreversed by UV light, highlighting its potential for optically controlled anesthesia.

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