Pregn-4-ene-20-carboxaldehyde, 3-oxo-

Base Information

• Chemical Name: Pregn-4-ene-20-carboxaldehyde, 3-oxo-
• CAS No.: 24254-01-1
• Molecular Formula: C22H32 O2
• Molecular Weight: 328.495
• UNII: 5EQD2A2KM6
• DSSTox Substance ID: DTXSID70885260
• Nikkaji Number: J422.133H
• Mol file: 24254-01-1.mol

Synonyms:24254-01-1;Pregn-4-ene-20-carboxaldehyde, 3-oxo-;3-Oxopregn-4-ene-20-carbaldehyde;20-Formylpregn-4-en-3-one;5EQD2A2KM6;3-OXOPREGN-4-ENE-20-CARBOXALDEHYDE;3-Oxopregnen-4-ene-20-carboxaldehyde;2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal;UNII-5EQD2A2KM6;SCHEMBL3091091;DTXSID70885260;pregn-4-en-3-one-20-carbaldehyde;PROGESTERONE IMPURITY I [EP IMPURITY];(20RS)-20-METHYL-3-OXOPREGN-4-EN-21-AL;2-[(8S, 9S, 10R, 13S, 14S, 17R)-10, 13-dimethyl-3-oxo-1, 2, 6, 7, 8, 9, 11, 12, 14, 15, 16, 17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal

Chemical Property of Pregn-4-ene-20-carboxaldehyde, 3-oxo-

Chemical Property:

• Vapor Pressure: 1.27E-08mmHg at 25°C
• Melting Point: 156-160 °C
• Boiling Point: 459.4°C at 760 mmHg
• Flash Point: 171°C
• PSA: 34.14000
• Density: 1.07g/cm³
• LogP: 4.96950
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 328.240230259
• Heavy Atom Count: 24
• Complexity: 591

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
• Isomeric SMILES: CC(C=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
• Uses: 3-Oxopregn-4-ene-20-carboxaldehyde is used in magnetic based graphene composites with steroidal diamine dimer as potential drug in hyperthermia cancer therapy.

Technology Process of Pregn-4-ene-20-carboxaldehyde, 3-oxo-

There total 7 articles about Pregn-4-ene-20-carboxaldehyde, 3-oxo- 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:

22-(piperidin-1-yl)-23,24-dinorchola-4,20(22)-dien-3-one (24377-48-8) → 20β-carboxyaldehyde-4-pregnen-3-one (24254-01-1)

Guidance literature:

Acid hydrolysis;

DOI:10.1002/1522-2675(200204)85:4<1096::AID-HLCA1096>3.0.CO;2-U

Reference yield:

→ 3-Oxo-bis-nor-4-cholen-22-al (903-30-0,3614-62-8,3957-27-5,3986-89-8,3986-90-1,4994-45-0,24254-01-1,66289-21-2,95403-59-1)

Guidance literature:

24-Ethyl-cholesta-4,22-dien-3-on, O3;

DOI:10.1039/C19680000926

Reference yield:

→ 3-Oxo-lumi-bisnor-4-cholen-22-al (903-30-0,3614-62-8,3957-27-5,3986-89-8,3986-90-1,4994-45-0,24254-01-1,66289-21-2,95403-59-1)

Guidance literature:

4,22-Lumistadien-3-on (II), O3/CH2Cl2, Py;

upstream raw materials:

22-(piperidin-1-yl)-23,24-dinorchola-4,20⁽²²⁾-dien-3-one

Downstream raw materials:

(20S)-21-hydroxy-20-methylpregn-4-en-3-one

Progesterone

22-(piperidin-1-yl)-23,24-dinorchola-4,20⁽²²⁾-dien-3-one

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