beta-Eucaine

Base Information

• Chemical Name: beta-Eucaine
• CAS No.: 500-34-5
• Molecular Formula: C₁₅H₂₁NO₂
• Molecular Weight: 247.337
• NSC Number: 49860
• DSSTox Substance ID: DTXSID70862056
• Nikkaji Number: J6.188C
• Wikipedia: Eucaine
• Wikidata: Q27116398
• NCI Thesaurus Code: C83706
• Metabolomics Workbench ID: 67599
• ChEMBL ID: CHEMBL4800463
• Mol file: 500-34-5.mol

Synonyms:Eucaine;Betacain;Eucaine B;BETA-EUCAINE;Eucain B;.beta.-Eucaine;Eukain B;500-34-5;NSC 49860;(2,2,6-TRIMETHYL-4-PIPERIDYL) BENZOATE;2,2,6-Trimethyl-4-piperidinol benzoate (ester);UNII-7X49L994AY;4-Piperidinol, 2,2,6-trimethyl-, benzoate (ester);Eucain;b-Eucaine;Oprea1_276630;Oprea1_675869;SCHEMBL420179;4-Piperidinol, 2,2,6-trimethyl-, benzoate (ester), stereoisomer (VAN);CHEMBL4800463;CHEBI:35068;DTXSID70862056;NSC49860;WLN: T6MTJ B1 B1 DOVR& F1;2,2,6-Trimethyl-4-piperidinol 4-benzoate;2,2,6-Trimethyl-4-piperidinyl benzoate #;LS-117210;4-Piperidinol, 2,2,6-trimethyl-, benzoate;alpha-4-benzoyloxy-2,2,6-trimethylpiperidine;4-Piperidinol, 2,2,6-trimethyl-, 4-benzoate;4-Piperidinol,2,6-trimethyl-, benzoate (ester);Q27116398;4-Piperidinol,2,6-trimethyl-, benzoate (ester), stereoisomer;4-Piperidinol, 2,2,6-trimethyl-, benzoate (ester), stereoisomer

Chemical Property of beta-Eucaine

Chemical Property:

• Vapor Pressure: 0.000145mmHg at 25°C
• Melting Point: 70-71° (corr)
• Refractive Index: 1.5130 (estimate)
• Boiling Point: 332.5°Cat760mmHg
• PKA: pKa 9.35(H2O t=15 c=0.005) (Uncertain)
• Flash Point: 154.9°C
• PSA: 38.33000
• Density: 1.06g/cm³
• LogP: 3.09130
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 247.157228913
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

98%min ^*data from raw suppliers

BETA-EUCAINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(CC(N1)(C)C)OC(=O)C2=CC=CC=C2

Technology Process of beta-Eucaine

There total 3 articles about beta-Eucaine 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:

benzoyl chloride (98-88-4) → (+/-)-4r-benzoyloxy-2,2,6c-trimethyl-piperidine (500-34-5,16206-87-4,74345-46-3)

Guidance literature:

at 130 ℃;

Reference yield:

benzoyl chloride (98-88-4) → (+/-)-4r-benzoyloxy-2,2,6t-trimethyl-piperidine (500-34-5,16206-87-4,74345-46-3)

Guidance literature:

at 150 ℃;

Reference yield:

benzoyl chloride (98-88-4) → (+/-)-4r-benzoyloxy-2,2,6t-trimethyl-piperidine (500-34-5,16206-87-4,74345-46-3)

Guidance literature:

upstream raw materials:

benzoyl chloride