Drofenine

Base Information

• Chemical Name: Drofenine
• CAS No.: 1679-76-1
• Molecular Formula: C₂₀H₃₁NO₂
• Molecular Weight: 317.472
• Hs Code.: 2922199090
• European Community (EC) Number: 605-497-3
• UNII: 4QWV355536
• DSSTox Substance ID: DTXSID0048472
• Nikkaji Number: J7.555H
• Wikipedia: Drofenine
• Wikidata: Q1259495
• NCI Thesaurus Code: C65484
• ChEMBL ID: CHEMBL442444
• Mol file: 1679-76-1.mol

Synonyms:cycloadiphenine;cycloadiphenine hydrochloride;drofenine;hexahydroadiphenine

Chemical Property of Drofenine

Chemical Property:

• Vapor Pressure: 3.55E-07mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 417.4 °C at 760 mmHg
• PKA: 9.21±0.25(Predicted)
• Flash Point: 124.6 °C
• PSA: 29.54000
• Density: 1.018 g/cm³
• LogP: 4.23550
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 317.235479232
• Heavy Atom Count: 23
• Complexity: 329

Purity/Quality:

99% ^*data from raw suppliers

DROFENINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2
• Therapeutic Function: Spasmolytic

Technology Process of Drofenine

There total 5 articles about Drofenine 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:

→ drofenine (1679-76-1,99553-40-9,756412-29-0)

Guidance literature:

With acetic acid; platinum; at 50 ℃; Hydrogenation;

DOI:10.1002/hlca.19410240162

Reference yield:

2-cyclohexyl-2-phenylacetic acid (3894-09-5,51019-55-7) + 2-chloro-N,N-diethylethylamine hydrochloride (869-24-9) → drofenine (1679-76-1,99553-40-9,756412-29-0)

Guidance literature:

With potassium carbonate; acetone;

DOI:10.1002/hlca.19410240162

Reference yield:

2-(Diethylamino)ethanol (100-37-8) → drofenine (1679-76-1,99553-40-9,756412-29-0)

Guidance literature:

With benzene;

upstream raw materials:

2-cyclohexyl-2-phenylacetic acid

2-chloro-N,N-diethylethylamine hydrochloride

2-(Diethylamino)ethanol

1-bromocyclohexane

Refernces