Betalone

Base Information

• Chemical Name: Betalone
• CAS No.: 1247-42-3
• Molecular Formula: C22H28O5
• Molecular Weight: 372.461
• Hs Code.: 2937290000
• NSC Number: 527579
• DSSTox Substance ID: DTXSID70859608
• Mol file: 1247-42-3.mol

Synonyms:16-methylprednisone;Betapar;meprednisone

Chemical Property of Betalone

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 1.39E-15mmHg at 25°C
• Melting Point: 204-206 °C
• Refractive Index: 1.595
• Boiling Point: 574.4 °C at 760 mmHg
• PKA: 12.38±0.70(Predicted)
• Flash Point: 315.2 °C
• PSA: 91.67000
• Density: 1.28 g/cm³
• LogP: 2.01180
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 372.19367399
• Heavy Atom Count: 27
• Complexity: 795

Purity/Quality:

99% ^*data from raw suppliers

Meprednisone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2(C1(C(=O)CO)O)C)C
• Recent EU Clinical Trials: Betamethasone (Betapred?) as premedication for reducing postoperative vomiting and pain after tonsillectomy – a randomized, double-blind, placebo-controlled trial
• Uses: Corticosteroid. Betapar(Meprednisone) is a glucocorticoid and a methylated derivative of prednisone. [1]The methylprednisone to MPL area under the curve ratio decreased from 0.19 +/- 0.04 in control to 0.14 +/- 0.03 in ketoconazole-treated rats (P less than .05) due to a
• Therapeutic Function: Glucocorticoid

Technology Process of Betalone

There total 11 articles about Betalone 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: 75.0%

21-acetoxy-17-hydroxy-16β-methyl-pregna-1,4-diene-3,11,20-trione (1106-03-2) → meprednisone (1247-42-3)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 - 40 ℃; Solvent; Reagent/catalyst;

Reference yield: 72.5%

C26H36O6Si + methylmagnesium bromide (75-16-1) → meprednisone (1247-42-3)

Guidance literature:

C₂₆H₃₆O₆Si; methylmagnesium bromide; In tetrahydrofuran; at 50 - 55 ℃;

With hydrogenchloride; In water; at 25 - 55 ℃; Solvent; Reagent/catalyst;

Reference yield:

21-acetoxy-17-hydroxy-16β-methyl-5β-pregnane-3,11,20-trione (1253-36-7) → meprednisone (1247-42-3)

Guidance literature:

Multi-step reaction with 2 steps

1: ueber das 2,4-Dibrom-Derivat

2: aqueous methanol.KHCO₃

With potassium hydrogencarbonate;

DOI:10.1021/ja01549a086 DOI:10.1021/ja01549a095

upstream raw materials:

21-acetoxy-17-hydroxy-16β-methyl-pregna-1,4-diene-3,11,20-trione

21-acetoxy-17-hydroxy-16β-methyl-5β-pregnane-3,11,20-trione

methylmagnesium bromide

Refernces

• 1、 -. "Preparation method of methyl metacortandracin". Paragraph 0010; 0012-0014. . Retrieved 2017/11/18.
• 2、 -. "Method for reducing or preventing transplant rejection in the eye and intraocular implants for use therefor". . . Retrieved 2008/06/13.