Octacaine

Base Information

• Chemical Name: Octacaine
• CAS No.: 13912-77-1
• Molecular Formula: C₁₄H₂₂N₂O
• Molecular Weight: 234.341
• Hs Code.: 2924299090
• UNII: 5BZF8S8IL5
• DSSTox Substance ID: DTXSID70864454
• Nikkaji Number: J8.457C
• Wikidata: Q27888312
• NCI Thesaurus Code: C66251
• ChEMBL ID: CHEMBL2104563
• Mol file: 13912-77-1.mol

Synonyms:Octacaine;Amplicaine;13912-77-1;3-(Diethylamino)-N-phenylbutanamide;Octacaine [INN];3-Diethylaminobutyranilide;Octacainum;Octacaina;Butanamide, 3-(diethylamino)-N-phenyl-;3-Diethylaminobutyranilid;UNII-5BZF8S8IL5;3-(Diethylamino)butyranilide;5BZF8S8IL5;Octacaine HCl;Butyranilide, 3-(diethylamino)-;beta-Diethylaminobuttersaeureanilid;Octacain;OCTACAINE [MI];OCTACAINE [WHO-DD];SCHEMBL24818;CHEMBL2104563;NIOSH/ES5238400;DTXSID70864454;CHEBI:134953;AKOS040753351;3-(Diethylamino)-N-phenylbutanamide #;LS-47757;ES52384000;Q27888312

Chemical Property of Octacaine

Chemical Property:

• Vapor Pressure: 4.46E-06mmHg at 25°C
• Melting Point: 46-47°
• Boiling Point: 383.2°Cat760mmHg
• Flash Point: 185.6°C
• PSA: 32.34000
• Density: 1.022g/cm³
• LogP: 2.81850
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 234.173213330
• Heavy Atom Count: 17
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

Amplicaine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(C)CC(=O)NC1=CC=CC=C1
• Uses: Amplicaine is a novel local anesthetic for the contraluminal transport system.

Technology Process of Octacaine

There total 5 articles about Octacaine 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:

3-ethylaminobut-2-enoic acid phenylamide (51843-47-1) → lidocaine (13912-77-1)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol; palladium

With methanol; palladium;

Reference yield:

N-phenylacetoacetamide (102-01-2,98624-45-4) → lidocaine (13912-77-1)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol

2: methanol; palladium

With methanol; ethanol; palladium;

Reference yield:

(E)-crotonanilide (17645-30-6) + diethylamine (109-89-7) → lidocaine (13912-77-1)

Guidance literature:

DOI:10.1002/hlca.19530360704

upstream raw materials:

ethyl bromide

3-ethylamino-butyric acid anilide

(E)-crotonanilide

diethylamine