Demexiptiline

Base Information

• Chemical Name: Demexiptiline
• CAS No.: 24701-51-7
• Molecular Formula: C₁₈H₁₈N₂O
• Molecular Weight: 278.354
• Hs Code.: 2928000090
• European Community (EC) Number: 241-969-1
• UNII: EYX738UZ5P
• DSSTox Substance ID: DTXSID40179441
• Nikkaji Number: J20.309B
• Wikipedia: Demexiptiline
• Wikidata: Q5255311
• NCI Thesaurus Code: C78013
• Metabolomics Workbench ID: 152072
• ChEMBL ID: CHEMBL2107576
• Mol file: 24701-51-7.mol

Synonyms:5H-dibenxo(a,d)cyclohepten-5-one O-(2-(methylamino)ethyl)oxime;demexiptiline;demexiptiline hydrochloride

Chemical Property of Demexiptiline

Chemical Property:

• Vapor Pressure: 1.34E-07mmHg at 25°C
• Boiling Point: 430.1°C at 760 mmHg
• Flash Point: 213.9°C
• PSA: 33.62000
• Density: 1.1g/cm³
• LogP: 3.43560
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 278.141913202
• Heavy Atom Count: 21
• Complexity: 363

Purity/Quality:

95% ^*data from raw suppliers

DEMEXIPTILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCON=C1C2=CC=CC=C2C=CC3=CC=CC=C31

Technology Process of Demexiptiline

There total 3 articles about Demexiptiline 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:

O-<2-(N-Ethoxycarbonyl-N-methyl-amino)-ethyl>-5H-dibenzocyclohepten-5-on-oxim (25450-09-3) → demexiptiline (24701-51-7)

Guidance literature:

With potassium hydroxide; ethoxyethoxyethanol; Heating;

Reference yield:

ethyl N-(2-chloroethyl)-N-methylcarbamate (10230-47-4) + N-[tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-ylidene]hydroxylamine (1021-91-6) → demexiptiline (24701-51-7)

Guidance literature:

Multistep reaction; (i) Na, diethylene glycol monoethyl ether, (ii) aq. KOH;

Reference yield:

N-[tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-ylidene]hydroxylamine (1021-91-6) + N-methyl-2-chloroethylamine (32315-92-7) → demexiptiline (24701-51-7)

Guidance literature:

Multistep reaction; (i) NaOEt, EtOH, (ii) /BRN= 505956/, DMF;

upstream raw materials:

ethyl N-(2-chloroethyl)-N-methylcarbamate

N-[tricyclo[9.4.0.0^3,8]pentadeca-1⁽¹¹⁾,3,5,7,9,12,14-heptaen-2-ylidene]hydroxylamine

O-<2-(N-Ethoxycarbonyl-N-methyl-amino)-ethyl>-5H-dibenzocyclohepten-5-on-oxim

N-methyl-2-chloroethylamine