Eticyclidine

Base Information

• Chemical Name: Eticyclidine
• CAS No.: 2201-15-2
• Molecular Formula: C14H21N
• Molecular Weight: 203.327
• NSC Number: 231651
• UNII: O8I1LL6A89
• DSSTox Substance ID: DTXSID2062248
• Nikkaji Number: J7.356C
• Wikipedia: Eticyclidine
• Wikidata: Q2365803
• NCI Thesaurus Code: C65573
• ChEMBL ID: CHEMBL279924
• Mol file: 2201-15-2.mol

Synonyms:N-ethyl-1-phenylcyclohexylamine;N-ethyl-1-phenylcyclohexylamine hydrochloride

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Chemical Property of Eticyclidine

Chemical Property:

• Vapor Pressure: 0.00108mmHg at 25°C
• Melting Point: 102.5-103.5 °C
• Refractive Index: 1.532
• Boiling Point: 301.1 °C at 760 mmHg
• PKA: 10.17±0.20(Predicted)
• Flash Point: 136.8 °C
• PSA: 12.03000
• Density: 0.96 g/cm³
• LogP: 3.84640
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 203.167399674
• Heavy Atom Count: 15
• Complexity: 176

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1(CCCCC1)C2=CC=CC=C2

Technology Process of Eticyclidine

There total 6 articles about Eticyclidine 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:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → Cyclohexamine (2201-15-2)

Guidance literature:

Multi-step reaction with 2 steps

1: concd. HCl / H₂O

2: benzene / 0.5 h / Heating

With hydrogenchloride; In water; benzene;

DOI:10.1021/jm00376a006

Reference yield:

1-ethylamino-1-cyclohexanecarbonitrile (22912-24-9) + phenyllithium (591-51-5) → Cyclohexamine (2201-15-2)

Guidance literature:

In diethyl ether; Heating;

DOI:10.1021/jm00303a030

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → Cyclohexamine (2201-15-2)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) aq. HCl, (ii) /BRN= 4652394/

2: diethyl ether / Heating

In diethyl ether;

DOI:10.1021/jm00303a030

upstream raw materials:

N-(1-phenyl-cyclohexyl)-acetamide

1-ethylamino-1-cyclohexanecarbonitrile

phenyllithium

cyclohexanone

Downstream raw materials:

N-allyl-N-ethyl-1-phenylcyclohexylamine hydrochloride

Refernces

• 1、 Brine,Williams,Boldt,Carroll. "Carbon-13 nuclear magnetic resonance spectra of phenycyclidine analogs". . p. 1425 - 1429. Retrieved 2007/10/05.
• 2、 Kalir,Edery,Pelah,Balderman,Porath. "1-Phenycycloalkylamine derivatives. II. Synthesis and pharmacological activity.". . p. 473 - 477. Retrieved 2007/10/05.