Cyclomethycaine

Base Information

• Chemical Name: Cyclomethycaine
• CAS No.: 139-62-8
• Molecular Formula: C22H33 N O3
• Molecular Weight: 359.509
• Hs Code.: 2933399090
• UNII: 15E9I74NZ8
• DSSTox Substance ID: DTXSID8057643
• Nikkaji Number: J5.644H
• Wikipedia: Cyclomethycaine
• Wikidata: Q5198741
• NCI Thesaurus Code: C75088
• ChEMBL ID: CHEMBL127487
• Mol file: 139-62-8.mol

Synonyms:cyclomethycaine

Chemical Property of Cyclomethycaine

Chemical Property:

• Vapor Pressure: 1.3E-09mmHg at 25°C
• Boiling Point: 486.4°Cat760mmHg
• PKA: 9.40±0.10(Predicted)
• Flash Point: 248°C
• PSA: 38.77000
• Density: 1.056g/cm³
• LogP: 4.75730
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 359.24604391
• Heavy Atom Count: 26
• Complexity: 414

Purity/Quality:

99% ^*data from raw suppliers

CYCLOMETHYLCAINE SULFATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OC3CCCCC3
• Uses: Cyclomethycaine is also used in topical anesthesia on the skin or mucous membranes for cuts, bites, and also for urological examinations. A common synonym of this drug is surfacaine.
• Therapeutic Function: Local anesthetic

Technology Process of Cyclomethycaine

There total 6 articles about Cyclomethycaine 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:

2-methylpiperidine-1-propanol (94-88-2) → cyclomethycaine (139-62-8)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride

With thionyl chloride;

DOI:10.1021/ja01216a051

Reference yield:

2-Methylpiperidin (109-05-7,3000-79-1) → cyclomethycaine (139-62-8)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / 160 °C

2: thionyl chloride

With thionyl chloride; potassium carbonate;

DOI:10.1021/ja01216a051

Reference yield:

Cyclohexyl iodide (626-62-0) → cyclomethycaine (139-62-8)

Guidance literature:

Multi-step reaction with 2 steps

1: zuletzt unter Zusatz von wss. Kalilauge erhitzen

DOI:10.1021/ja01216a051

upstream raw materials:

1-(3-chloro-propyl)-2-methyl-piperidine

4-(Cyclohexyloxy)benzoic acid

isopropyl alcohol

2-methylpiperidine-1-propanol