16beta-Methylprogesterone

Base Information

• Chemical Name: 16beta-Methylprogesterone
• CAS No.: 1424-09-5
• Molecular Formula: C₂₂H₃₂O₂
• Molecular Weight: 328.495
• UNII: O94MU16592
• Nikkaji Number: J111.650I
• Wikidata: Q27148900
• Mol file: 1424-09-5.mol

Synonyms:16beta-Methylprogesterone;1424-09-5;16-beta-METHYL-4-PREGNEN-3,20-DIONE;UNII-O94MU16592;NSC 43115;O94MU16592;16beta-Methylpregn-4-ene-3,20-dione;16.beta.-Methylprogesterone;Pregn-4-ene-3,20-dione, 16.beta.-methyl-;(8S,9S,10R,13S,14S,16S,17S)-17-acetyl-10,13,16-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;Pregn-4-ene-3,20-dione, 16-methyl-, (16.beta.)-;NSC-43115;SCHEMBL5572178;CHEBI:79767;JYYRDDFNMDZIIP-HQJDTPGISA-N;16.beta.-Methylpregn-4-ene-3,20-dione #;16.BETA.-METHYL-4-PREGNENE-3,20-DIONE;Q27148900

Chemical Property of 16beta-Methylprogesterone

Chemical Property:

• Vapor Pressure: 2.03E-08mmHg at 25°C
• Boiling Point: 453.7°Cat760mmHg
• Flash Point: 169°C
• PSA: 34.14000
• Density: 1.07g/cm³
• LogP: 4.96950
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 328.240230259
• Heavy Atom Count: 24
• Complexity: 618

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CCC4=CC(=O)CCC4(C3CCC2(C1C(=O)C)C)C
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC[C@@]2([C@H]1C(=O)C)C)C

Technology Process of 16beta-Methylprogesterone

There total 6 articles about 16beta-Methylprogesterone 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:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 16β-Methyl-progesteron (1424-09-5)

Guidance literature:

With aluminum isopropoxide; toluene;

DOI:10.1002/hlca.194402701229

Reference yield:

16β-methylpregnenolone (1474-71-1) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + aluminum isopropoxide (555-31-7) + toluene (108-88-3,15644-74-3,16713-13-6) → 16β-Methyl-progesteron (1424-09-5)

Guidance literature:

DOI:10.1002/hlca.194402701229

Reference yield:

→ 16α-Methyl-progesteron (1239-79-8,1424-09-5,1424-10-8,1922-34-5,85027-24-3,95403-63-7)

Guidance literature:

16-Pregnenolonacetat, Grignard;

upstream raw materials:

16β-methylpregnenolone

cyclohexanone

aluminum isopropoxide

toluene

Downstream raw materials:

16β-methyl-17α-progesterone

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