Aldadiene;SC9376;SC14266

Base Information

• Chemical Name: Aldadiene;SC9376;SC14266
• CAS No.: 976-71-6
• Molecular Formula: C22H28O3
• Molecular Weight: 340.463
• Hs Code.: 29329990
• NSC Number: 758947
• ChEMBL ID: CHEMBL2140203
• Mol file: 976-71-6.mol

Synonyms:Aldadiene;SC9376;SC14266;Spectrum2_000484;Spectrum3_001059;Spectrum4_001202;Spectrum5_000881;BSPBio_002618;KBioGR_001604;MLS002554501;SPECTRUM1505248;SPBio_000347;SCHEMBL8259223;CHEMBL2140203;KBio3_001838;HMS1922N21;HMS2093M18;HMS3091M05;Pharmakon1600-01505248;CCG-39510;NSC758947;NSC-758947;NCGC00178572-01;SMR001475782;SBI-0206731.P001;AB01563052_01;SR-05000001916;SR-05000001916-1;BRD-A20644369-001-04-5

Chemical Property of Aldadiene;SC9376;SC14266

Chemical Property:

• Vapor Pressure: 8.95E-12mmHg at 25°C
• Melting Point: 158-160 °C
• Refractive Index: 1.581
• Boiling Point: 541.1 °C at 760 mmHg
• Flash Point: 237.6 °C
• PSA: 43.37000
• Density: 1.19 g/cm³
• LogP: 4.37010
• Storage Temp.: Store at RT
• Solubility.: DMSO: soluble20mg/mL, clear
• Water Solubility.: 272.4ug/L(25 oC)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 340.20384475
• Heavy Atom Count: 25
• Complexity: 719

Purity/Quality:

99%min ^*data from raw suppliers

Canrenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 40-51/53
• Safety Statements: 36/37-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C
• Isomeric SMILES: C[C@]12CCC(=O)C=C1C=CC3C2CC[C@]4(C3CC[C@@]45CCC(=O)O5)C
• Uses: Aldosterone antagonist. Diuretic Inhibits aldosterone biosynthesis and blocks ouabain effects

Technology Process of Aldadiene;SC9376;SC14266

There total 35 articles about Aldadiene;SC9376;SC14266 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: 95.6%

C23H28O5 → canrenone (976-71-6)

Guidance literature:

In water; ethylene glycol; at 50 - 90 ℃; Solvent;

Reference yield: 95.0%

SPIRONOLACTONE (52-01-7) → canrenone (976-71-6)

Guidance literature:

With mercury dichloride; In ethanol; Ambient temperature;

Reference yield: 92.0%

potassium canrenoate → canrenone (976-71-6)

Guidance literature:

With NH₂SO₄; In methanol; for 0.0833333h; Heating;

DOI:10.1016/S0039-128X(97)00073-1

upstream raw materials:

3-oxopregn-4-ene-21,17α-carbolactone

C₂₂H₃₂O₃

SPIRONOLACTONE

levonorgestrel

Downstream raw materials:

(+)-7α-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenethyl)-17-hydroxy-3-oxo-17α-pregn-4-ene-21-carboxylic acid γ-lactone

(+)-7α-(4-(chloromethyl)phenethyl)-17-hydroxy-3-oxo-17α-pregn-4-ene-21-carboxylic acid γ-lactone

(+)-1α-(4-(chloromethyl)phenethyl)-4-androstene-3,17-dione

11α-hydroxyl canrenone

Refernces

• 1、 Megges, Rudolf,Weiland, Juergen,Undeutsch, Bernd,Buechting, Horst,Schoen, Rudolf. "The nitration of canrenone with acetic anhydride/nitric acid". . p. 762 - 766. Retrieved 1997.
• 2、 -. "Method for preparing spirolactone intermediate canrenone". Paragraph 0019-0033. . Retrieved 2021/10/20.
• 3、 -. "Synthesis method of canrenone". Paragraph 0047-0190. . Retrieved 2021/10/05.