Butyrophenone, 5'-chloro-2'-(2-(diisopropylamino)ethoxy)-

Base Information

• Chemical Name: Butyrophenone, 5'-chloro-2'-(2-(diisopropylamino)ethoxy)-
• CAS No.: 20809-23-8
• Molecular Formula: C₁₈H₂₈ClNO₂
• Molecular Weight: 325.879
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID40174916
• Nikkaji Number: J67.439G
• Wikidata: Q83045098
• Mol file: 20809-23-8.mol

Synonyms:BRN 2588217;20809-23-8;BUTYROPHENONE, 5'-CHLORO-2'-(2-(DIISOPROPYLAMINO)ETHOXY)-;2-Butyryl-4-chloro-beta-(N,N-diisopropyl)phenoxyethylamine;Butyrophenone, 3'-chloro-6'-(2-(diisopropylamino)ethoxy)-;DTXSID40174916;LS-48301;5'-Chloro-2'-[2-(diisopropylamino)ethoxy]butyrophenone

Chemical Property of Butyrophenone, 5'-chloro-2'-(2-(diisopropylamino)ethoxy)-

Chemical Property:

• Vapor Pressure: 3.02E-07mmHg at 25°C
• Boiling Point: 419.5°Cat760mmHg
• PKA: 9.65±0.28(Predicted)
• Flash Point: 207.5°C
• PSA: 29.54000
• Density: 1.039g/cm³
• LogP: 4.82040
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 325.1808568
• Heavy Atom Count: 22
• Complexity: 325

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC(=O)C1=C(C=CC(=C1)Cl)OCCN(C(C)C)C(C)C

Technology Process of Butyrophenone, 5'-chloro-2'-(2-(diisopropylamino)ethoxy)-

There total 1 articles about Butyrophenone, 5'-chloro-2'-(2-(diisopropylamino)ethoxy)- 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:

1-(5-chloro-2-hydroxy-phenyl)-butan-1-one (51978-33-7) + 1-chloro-2-diisopropylaminoethane hydrochloride (4261-68-1) → 2-(2-Diisopropylamino-aethoxy)-5-chlor-butyrophenon (20809-23-8)

Guidance literature:

With potassium carbonate; In toluene;

DOI:10.1021/jm00314a036

upstream raw materials:

1-(5-chloro-2-hydroxy-phenyl)-butan-1-one

1-chloro-2-diisopropylaminoethane hydrochloride

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