Oxethazaine

Base Information

• Chemical Name: Oxethazaine
• CAS No.: 126-27-2
• Molecular Formula: C28H41N3O3
• Molecular Weight: 467.652
• European Community (EC) Number: 204-780-5
• NSC Number: 758444
• UNII: IP8QT76V17
• DSSTox Substance ID: DTXSID0025818
• Nikkaji Number: J2.510K
• Wikipedia: Oxetacaine
• Wikidata: Q2412605
• NCI Thesaurus Code: C81409
• Metabolomics Workbench ID: 67480
• ChEMBL ID: CHEMBL127592
• Mol file: 126-27-2.mol

Synonyms:Acetamide,2,2'-[(2-hydroxyethyl)imino]bis[N-(a,a-dimethylphenethyl)-N-methyl-(6CI,7CI,8CI);2,2'-[(2-Hydroxyethyl)imino]bis[N-(a,a-dimethylphenethyl)-N-methylacetamide];2-Di(N-methyl-N-phenyl-tert-butyl-carbamoylmethyl)aminoethanol;Betalgil;FH099;Mucoxin;Oxaine;Oxetacaine;Storocain;Storocaine;Topicain;

Chemical Property of Oxethazaine

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 9.25E-17mmHg at 25°C
• Melting Point: 104-105°C
• Refractive Index: 1.557
• Boiling Point: 630.412 °C at 760 mmHg
• PKA: 14.62±0.10(Predicted)
• Flash Point: 335.062 °C
• PSA: 64.09000
• Density: 1.094 g/cm³
• LogP: 3.24010
• Storage Temp.: Refrigerator
• Solubility.: Practically insoluble in water; freely soluble in methanol; soluble in ethyl acetate.
• Water Solubility.: <0.1 g/100 mL at 23℃
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 467.31479218
• Heavy Atom Count: 34
• Complexity: 585

Purity/Quality:

Oxethazaine analytical standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(CC1=CC=CC=C1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC2=CC=CC=C2
• Recent ClinicalTrials: Tepilta? Versus Oxetacaine, Antacids and Placebo
• Recent EU Clinical Trials: Clinical trial to assess the efficacy of the fixed combination product Tepilta? in the treatment of radiation-induced oesophagitis compared to its active ingredients oxetacaine and antacids, and to placebo
• Uses: A potent local anesthetic that is active even in acidic conditions. It is used (usually in combination with an antacid) for the relief of pain associated with peptic ulcer disease or esophagitis. antiviral, RT inhibitor
• Therapeutic Function: Local anesthetic

Technology Process of Oxethazaine

There total 4 articles about Oxethazaine 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:

mephentermine (100-92-5) → oxethazaine (126-27-2)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene

2: K₂CO₃ / butan-1-ol

With potassium carbonate; In toluene; butan-1-ol;

DOI:10.1021/jo01351a057

Reference yield:

chloro-acetic acid-[(1,1-dimethyl-2-phenyl-ethyl)-methyl-amide] (2293-55-2) + ethanolamine (141-43-5) → oxethazaine (126-27-2)

Guidance literature:

With potassium carbonate; In butan-1-ol;

DOI:10.1021/jo01351a057

Reference yield:

2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide (26187-18-8) + ethanolamine (141-43-5) → oxethazaine (126-27-2)

Guidance literature:

With potassium carbonate; butan-1-ol;

upstream raw materials:

2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide

ethanolamine

chloro-acetic acid-[(1,1-dimethyl-2-phenyl-ethyl)-methyl-amide]

mephentermine

Downstream raw materials:

mephentermine

<2-Hydroxy-aethyl>---amin

(2-chloro-ethylimino)-di-acetic acid bis-[(1,1-dimethyl-2-phenyl-ethyl)-methyl-amide]

[2-(4-nitro-benzoyloxy)-ethylimino]-di-acetic acid bis-[(1,1-dimethyl-2-phenyl-ethyl)-methyl-amide]