Phenacaine

Base Information

• Chemical Name: Phenacaine
• CAS No.: 101-93-9
• Molecular Formula: C18H22 N2 O2
• Molecular Weight: 298.385
• Hs Code.: 2925290090
• UNII: V3M4D317W8
• DSSTox Substance ID: DTXSID0046062
• Nikkaji Number: J13.823A
• Wikipedia: Phenacaine
• Wikidata: Q7181308
• NCI Thesaurus Code: C84046
• ChEMBL ID: CHEMBL127123
• Mol file: 101-93-9.mol

Synonyms:Phenacaine;Fenacaine;Holocaine;Tanicaine;101-93-9;N,N'-Bis(4-ethoxyphenyl)ethanimidamide;Phenacaine [INN];N,N'-Bis(p-ethoxyphenyl)acetamidine;Phenacainum;Fenacaina;Fenacaina [INN-Spanish];Phenacainum [INN-Latin];ACETAMIDINE, N,N'-BIS(p-ETHOXYPHENYL)-;N',N(sup 2)-Bis(p-ethoxyphenyl)acetamidine;BRN 2702842;UNII-V3M4D317W8;Ethanimidamide, N,N'-bis(4-ethoxyphenyl)-;V3M4D317W8;NCGC00181080-01;Halocaine;PHENACAINE [WHO-DD];SCHEMBL24365;SCHEMBL82180;MLS006011717;CHEMBL127123;SCHEMBL16070026;CHEBI:135260;HY-B1726;BDBM50225485;N,N'-Bis-(4-ethoxy-phenyl)-acetamidine;SMR004703439;CS-0013731;ETHANIMIDAMIDE, N,N'-BIS(4-ETHOXYPHENOL)-;Q7181308;N(SUP 1),N(SUP 2)-BIS(P-ETHOXYPHENYL)ACETAMIDINE

Chemical Property of Phenacaine

Chemical Property:

• Vapor Pressure: 8.29E-09mmHg at 25°C
• Melting Point: 117°C
• Refractive Index: 1.5350 (estimate)
• Boiling Point: 464.5°Cat760mmHg
• PKA: 9.95±0.50(Predicted)
• Flash Point: 234.7°C
• PSA: 42.85000
• Density: 1.04g/cm³
• LogP: 4.71900
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 298.168127949
• Heavy Atom Count: 22
• Complexity: 330

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OCC)C
• Therapeutic Function: Local anesthetic

Technology Process of Phenacaine

There total 12 articles about Phenacaine 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:

4-ethoxyacetanilide (62-44-2,105931-34-8) + 4-Ethoxyaniline (156-43-4) → phenacaine (101-93-9)

Guidance literature:

With phosphorus trichloride; at 110 - 120 ℃;

Reference yield:

4-ethoxyacetanilide (62-44-2,105931-34-8) → phenacaine (101-93-9)

Guidance literature:

With trichlorophosphate; benzene; beim Erwaermen des Reaktionsgemisches mit p-Phenetidin und Behandeln der in Wasser loeslichen Anteile des Reaktionsprodukts mit wss. Ammoniak;

Reference yield:

ethyl acetimidate hydrochloride (2208-07-3) + 4-Ethoxyaniline (156-43-4) → phenacaine (101-93-9)

Guidance literature:

upstream raw materials:

4-ethoxyacetanilide

acetic acid

4-Ethoxyaniline

diethyl ether