Melitracen

Base Information

• Chemical Name: Melitracen
• CAS No.: 5118-29-6
• Molecular Formula: C21H25N
• Molecular Weight: 291.436
• Hs Code.: 2921499090
• European Community (EC) Number: 225-858-5
• UNII: Q7T0Y1109Z
• DSSTox Substance ID: DTXSID4048274
• Nikkaji Number: J9.633D
• Wikipedia: Melitracen
• Wikidata: Q411251
• NCI Thesaurus Code: C174875
• Metabolomics Workbench ID: 154197
• ChEMBL ID: CHEMBL110094
• Mol file: 5118-29-6.mol

Synonyms:melitracene;melitracene hydrochloride;Metrisil;N,N-dimethyl-3-(9,10-dihydro-10,10-dimethylanthracen-9-yliden)propylamine;Trausabun

Chemical Property of Melitracen

Chemical Property:

• Refractive Index: 1.4900 (estimate)
• Boiling Point: 399.096 °C at 760 mmHg
• PKA: 9.18±0.28(Predicted)
• Flash Point: 174.44 °C
• PSA: 3.24000
• Density: 1.047 g/cm³
• LogP: 4.70930
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 291.198699802
• Heavy Atom Count: 22
• Complexity: 378

Purity/Quality:

99% ^*data from raw suppliers

Melitracen ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C
• Recent ClinicalTrials: Treatment in Patients With Globus: Psychoeducation, Anxiolytics or Proton Pump Inhibitors
• Uses: Antidepressant.
• Therapeutic Function: Antidepressant

Technology Process of Melitracen

There total 3 articles about Melitracen 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:

C21H27NO (85118-29-2) → melitracen (5118-29-6)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 0.006h; pH=< 2; Flow reactor;

DOI:10.1021/acs.oprd.7b00368

Reference yield:

10,10-dimethyl-9,10-dihydroanthracen-9-one (5447-86-9) + 3-(Dimethylamino)propyl chloride (109-54-6) → melitracen (5118-29-6)

Guidance literature:

Multistep reaction; (i) Mg, EtBr, (ii) /BRN= 1873972/, (iii) aq. HCl, AcOH;

Reference yield:

→ melitracen (5118-29-6)

Guidance literature:

10,10-Dimethylanthron, Me2N-CH2-CH2-CH2-MgCl, Et2O;

upstream raw materials:

10,10-dimethyl-9,10-dihydroanthracen-9-one

3-(Dimethylamino)propyl chloride

C₂₁H₂₇NO

Refernces