Butacaine

Base Information

• Chemical Name: Butacaine
• CAS No.: 149-16-6
• Molecular Formula: C18H30 N2 O2
• Molecular Weight: 306.448
• Hs Code.: 2922499990
• European Community (EC) Number: 205-734-7
• NSC Number: 758632
• UNII: Z84S23CGJJ
• DSSTox Substance ID: DTXSID3045300
• Nikkaji Number: J5.848C
• Wikipedia: Butacaine
• Wikidata: Q5002339
• NCI Thesaurus Code: C87457
• Pharos Ligand ID: ZCU7DU66P47D
• Metabolomics Workbench ID: 152682
• ChEMBL ID: CHEMBL129529
• Mol file: 149-16-6.mol

Synonyms:3-(dibutylamino)propyl 4-aminobenzoate;butacaine;butacaine sulfate;Butaprobenz;butocain

Chemical Property of Butacaine

Chemical Property:

• Vapor Pressure: 6.1E-08mmHg at 25°C
• Melting Point: 25°C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 440°C at 760 mmHg
• PKA: pKa 8.96 (Uncertain)
• Flash Point: 219.9°C
• PSA: 55.56000
• Density: 1.014g/cm³
• LogP: 4.29910
• Storage Temp.: −20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 306.230728204
• Heavy Atom Count: 22
• Complexity: 281

Purity/Quality:

97% ^*data from raw suppliers

Butacaine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)N
• Uses: radioopaque agent Butacaine is an human glutathione transferase P1-1 (GST P1-1).
• Therapeutic Function: Local anesthetic

Technology Process of Butacaine

There total 5 articles about Butacaine 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:

→ butacaine (149-16-6)

Guidance literature:

With water; iron;

Reference yield:

3-bromopropane-4-nitrobenzoate (23574-41-6) + dibutylamine (111-92-2) → butacaine (149-16-6)

Guidance literature:

at 60 ℃;

Reference yield:

3-bromopropane-4-nitrobenzoate (23574-41-6) → butacaine (149-16-6)

Guidance literature:

With hydrogenchloride; iron; nachfolgend Kondensation mit Dibutylamin;

upstream raw materials:

3-bromopropane-4-nitrobenzoate

dibutylamine

4-nitro-benzoyl chloride

Downstream raw materials:

4-amino-3-bromo-benzoic acid-(3-dibutylamino-propyl ester)