C23H28Cl2O5

Base Information

• Chemical Name: C23H28Cl2O5
• CAS No.: 79-61-8
• Molecular Formula: C23H28Cl2O5
• Molecular Weight: 455.378
• Hs Code.: 1302199099
• DSSTox Substance ID: DTXSID401000180
• Mol file: 79-61-8.mol

Synonyms:C23H28Cl2O5;C23-H28-Cl2-O5;SCHEMBL22527645;DTXSID401000180;AKOS026749851;BS-24317;9,11-Dichloro-17-hydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate

Chemical Property of C23H28Cl2O5

Chemical Property:

• Vapor Pressure: 1.06E-16mmHg at 25°C
• Refractive Index: 1.585
• Boiling Point: 596.2 °C at 760 mmHg
• Flash Point: 314.4 °C
• PSA: 80.67000
• Density: 1.34 g/cm³
• LogP: 3.73630
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 454.1313794
• Heavy Atom Count: 30
• Complexity: 881

Purity/Quality:

99% ^*data from raw suppliers

Dichlorisone acetate ≥97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)Cl)C)O
• Isomeric SMILES: CC(=O)OCC(=O)[C@]1(CCC2C1(CC([C@]3(C2CCC4=CC(=O)C=CC43C)Cl)Cl)C)O
• Uses: antipruretic
• Therapeutic Function: Antipruritic, Antihistaminic, Appetite stimulant

Technology Process of C23H28Cl2O5

There total 6 articles about C23H28Cl2O5 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: 88.0%

21-acetoxy-9α,11β-dichloro-17α-hydroxy-3-methyliminopregna-1,4-dien-20-one N-oxide (84871-33-0) → dichlorisone 21-acetate (79-61-8)

Guidance literature:

With p-toluenesulfonyl chloride; In pyridine; water; for 0.25h;

Reference yield: 42.0%

21-acetoxy-9α,11β-dichloro-17α-hydroxy-20-oxopregna-1,4-diene-3-thione (84871-38-5) → dichlorisone 21-acetate (79-61-8)

Guidance literature:

With di-(p-methoxyphenyl)tellurium oxide; In methanol; dichloromethane; for 21h;

Reference yield:

9α,11β-Dichlor-17α-hydroxy-21-acetoxy-pregnen-(4)-dion-(3,20) (13913-97-8) → dichlorisone 21-acetate (79-61-8)

Guidance literature:

With pyridine; selenium(IV) oxide; In tert-butyl alcohol;

DOI:10.1021/ja01500a051

upstream raw materials:

N-chloro-succinimide

pregna-1,4,9(11)-triene-17α,21-diol-3,20-dione 21-acetate

9α,11β-Dichlor-17α-hydroxy-21-acetoxy-pregnen-(4)-dion-(3,20)

21-acetoxy-9α,11β-dichloro-17α-hydroxy-20-oxopregna-1,4-diene-3-thione

Downstream raw materials:

Dichlorisone

Refernces

Synthesis, optical properties and protonation of chlorophyll derivatives appending a pyridyl group in the C3-substituent

10.1016/j.dyepig.2015.03.006

The research focuses on the synthesis, optical properties, and protonation of chlorophyll-a (Chl-a) derivatives that have a 2-(2/3/4-pyridyl)ethenyl group at the C3 position. The derivatives were synthesized using the Wittig reaction on methyl pyropheophorbide-d, which involved reactants such as 2/3/4-(chloromethyl)pyridine hydrochloride and triphenylphosphine. The resulting olefins were then subjected to catalytic hydrogenation using PtO2 in a mixed solvent of acetone and ethanol to yield the corresponding regioisomers. The optical properties of these derivatives were analyzed using visible absorption and fluorescence emission spectra, with the longest wavelength (Qy) maxima shifting bathochromically based on the linker between the chlorin and pyridyl moieties. Protonations were conducted by titrating the synthetic chlorophyll-pyridine conjugates with trifluoroacetic acid in chloroform, and the resulting visible spectral changes indicated the order of protonation. The analyses included the determination of association constants, high-resolution mass spectrometry (HRMS), and nuclear magnetic resonance (NMR) spectroscopy.

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