Melengestrol acetate

Base Information

• Chemical Name: Melengestrol acetate
• CAS No.: 2919-66-6
• Molecular Formula: C25H32O4
• Molecular Weight: 396.527
• Hs Code.: 29372390
• European Community (EC) Number: 220-859-7
• NSC Number: 70968
• UNII: 4W5HDS3936
• DSSTox Substance ID: DTXSID5048184
• Nikkaji Number: J7.935I
• Wikipedia: Melengestrol_acetate
• Wikidata: Q6812180
• NCI Thesaurus Code: C74577
• RXCUI: 1537798
• Metabolomics Workbench ID: 155019
• ChEMBL ID: CHEMBL1328968
• Mol file: 2919-66-6.mol

Synonyms:Acetate, Melengestrol;Melengestrol;Melengestrol Acetate

Chemical Property of Melengestrol acetate

Chemical Property:

• Appearance/Colour: Light tan solid
• Vapor Pressure: 9.29E-11mmHg at 25°C
• Melting Point: 202-204 °C(lit.)
• Refractive Index: 1.554
• Boiling Point: 516.1 °C at 760 mmHg
• Flash Point: 221.7 °C
• PSA: 60.44000
• Density: 1.15 g/cm³
• LogP: 4.74140
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 396.23005950
• Heavy Atom Count: 29
• Complexity: 893

Purity/Quality:

99% ^*data from raw suppliers

Melengestrol acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xn
• Statements: 62
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC2C(CCC3(C2CC(=C)C3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C
• Isomeric SMILES: CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC(=C)[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C
• Uses: Orally active progestational steroid. Progestogen; growth promotant. Melengestrol Acetate is an orally active progestational steroid. Progestogen; growth promotant.

Technology Process of Melengestrol acetate

There total 2 articles about Melengestrol acetate 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:

Acetic acid (3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-16-methylene-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester → 17α-acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione (2919-66-6)

Guidance literature:

With aluminum tri-tert-butoxide; p-benzoquinone; In benzene;

DOI:10.1016/S0040-4020(01)98646-6

Reference yield:

→ 17α-acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione (2919-66-6)

Guidance literature:

Reference yield:

17α-acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione (2919-66-6) + orthoformic acid triethyl ester (122-51-0) → 17α-Acetoxy-3-ethoxy-6-methyl-16-methylen-pregna-3,5,7-trien-20-on (2919-67-7)

Guidance literature:

With toluene-4-sulfonic acid; In ethanol;

DOI:10.1016/S0040-4020(01)98646-6

Downstream raw materials:

17α-Acetoxy-3-ethoxy-6-methyl-16-methylen-pregna-3,5,7-trien-20-on

Refernces

• 1、 -. "Isomerization-acylation process". . . Retrieved 2008/06/13.
• 2、 Cooley,Ellis,Petrow. "Modified steroid hormones. XXXIX. Preparation and hydrolysis of steroidal 3-alkoxy-6-methyl-3,5,7-trienes.". . p. 1753 - 1760. Retrieved 2007/10/07.