Pregna-4,16-diene-3,20-dione

Basic Information

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CAS Number

1096-38-4

Molecular Formula

C21H28O2

Molecular Weight

312.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

157-161 ºC

SMILES

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CC(=O)C1=CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

InChI

InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1

InChIKey

VRRHHTISESGZFN-RKFFNLMFSA-N

LogP

4.643600000000005

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

640

Synonyms & References

English

.DELTA.4,20-dione
4,16-Pregnadiene-3,20-dione
JU0YQ9DZ2O
3,16-diene
NSC 11037
NSC-9785
NSC9785
Pregna-4,16-diene-3,20-dione
AKOS022172049
PD124055
MFCD00003651
C03207
16-Dehydroprogesterone, 97%
DTXSID10862535
D4,16-Pregnadiene-3,20-dione
.DELTA.4,16-Pregnadiene-3,20-dione
3,20-Dioxopregna-4,16-diene
16-?Dehydroprogesterone
NSC-11037
16-ehydroprogesterone
Q27102899
LMST02030163
1096-38-4
NSC11037
CS-0099261
s6140
DS-6807
HY-128378
16,17-Didehydroprogesterone
Delta(4,16)-pregnadiene-3,20-dione
NS00041680

MDL Number

MFCD00003651

FAQ

What regulatory guidelines apply to Pregna-4,16-diene-3,20-dione (CAS: 1096-38-4)?

Pregna-4,16-diene-3,20-dione (CAS: 1096-38-4) must adhere to various regulatory guidelines. It is classified under the GHS (Globally Harmonized System of Classification and Labelling of Chemicals) as a substance requiring precautionary statements due to its potential health and environmental hazards. In the European Union, it falls under the REACH regulations, which require manufacturers and importers to register the substance if produced or imported in quantities exceeding one tonne per year. Additionally, the FDA and EPA have specific requirements for its handling, storage, and discharge into the environment, especially if it is intended for pharmaceutical or agricultural applications.

Are there alternatives to Pregna-4,16-diene-3,20-dione (CAS: 1096-38-4) in synthesis?

In the synthesis of compounds similar to Pregna-4,16-diene-3,20-dione (CAS: 1096-38-4), researchers often explore alternatives such as other steroidal precursors or isomers. Common alternatives include pregn-4,20-diene-3-one and related structures. These alternatives can provide similar functionalities and may offer advantages in terms of reactivity, cost, and availability. Additionally, using different synthetic routes or reagents, such as palladium-catalyzed cross-coupling reactions, can help achieve the desired product with better efficiency and selectivity.

What is the market or research trend for Pregna-4,16-diene-3,20-dione (CAS: 1096-38-4)?

The market and research trends for Pregna-4,16-diene-3,20-dione (CAS: 1096-38-4) are closely linked to its applications in pharmaceuticals and agricultural chemicals. Research is increasingly focusing on its use as a precursor in steroid synthesis and as an intermediate in the production of biologically active compounds. Market trends indicate a growing demand due to its role in the development of new drugs and pesticides. Studies are also exploring its potential in cosmetic formulations and as a biodegradable material. However, its limited availability and stringent regulatory requirements pose challenges for widespread adoption.

How should waste containing Pregna-4,16-diene-3,20-dione (CAS: 1096-38-4) be handled?

Waste containing Pregna-4,16-diene-3,20-dione (CAS: 1096-38-4) should be handled with care to ensure safety and compliance with regulatory requirements. Waste liquid should be collected in appropriate containers with proper labelling. For solid waste, it is recommended to store in sealed, non-reactive containers. Disposal should follow the guidance of local hazardous waste regulations. Professional waste disposal services are preferred to ensure safe incineration or other environmentally friendly methods. Environmental protection precautions include monitoring for any leaks or spills and ensuring that all disposal methods comply with EPA and local standards.