(16alpha)-21-Chloro-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-17-yl 2-furoate | CAS No. 83880-65-3

(16alpha)-21-Chloro-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-17-yl 2-furoate

Basic Information

CAS Number

83880-65-3

Molecular Formula

C27H29ClO5

Molecular Weight

468.98 g/mol

AD

Basic Physical Properties

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CCl)OC(=O)c5ccco5)C)C

InChI

InChI=1S/C27H29ClO5/c1-16-13-21-19-7-6-17-14-18(29)8-10-25(17,2)20(19)9-11-26(21,3)27(16,23(30)15-28)33-24(31)22-5-4-12-32-22/h4-5,8-10,12,14,16,19,21H,6-7,11,13,15H2,1-3H3/t16-,19-,21+,25+,26+,27+/m1/s1

InChIKey

GSJLBVBYMSNTPZ-XACSLSAESA-N

LogP

5.457100000000006

Topological Polar Surface Area

73.58000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Synonyms & References

English

  • Pregna-1,4,9(11)-triene-3,20-dione,21-chloro-17-[(2-furanylcarbonyl)oxy]-16-methyl-, (16a)- (9CI)
  • Mometasone Furoate-d3
  • 21-chloro-16α-methyl-17α-hydroxy-1,4,9(11)-pregnatriene-3,20-dione 17-(2'-furoate)
  • Mometasone Furoate I
  • MoMetasone Furoate IMpurity A
  • (8S,10S,13S,14S,16R,17R)-17-(2-chloroacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl furan-2-carboxylate

MDL Number

MFCD28359027

FAQ

What are the physical and chemical properties of (16alpha)-21-Chloro-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-17-yl 2-furoate (CAS: 83880-65-3)?

(16alpha)-21-Chloro-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-17-yl 2-furoate is a white crystalline solid with a molecular weight of approximately 436.25 g/mol. It is slightly soluble in organic solvents like ethanol and dimethyl sulfoxide. Chemically, it is known for its stability under neutral conditions but can be reactive towards strong oxidizing agents. Its physicochemical properties are crucial for its application in pharmaceuticals and research.

How is (16alpha)-21-Chloro-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-17-yl 2-furoate (CAS: 83880-65-3) typically synthesized?

(16alpha)-21-Chloro-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-17-yl 2-furoate is synthesized through a multi-step process involving alkene oxidation, chlorination, and esterification reactions. The synthesis typically requires careful control of temperature and the use of specific catalysts to achieve high yield and selectivity. This compound is often prepared using a combination of reagents such as tert-butyl hydroperoxide, sodium hypochlorite, and 2-furoic acid.

What industries use (16alpha)-21-Chloro-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-17-yl 2-furoate (CAS: 83880-65-3)?

(16alpha)-21-Chloro-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-17-yl 2-furoate finds applications in the pharmaceutical industry due to its structural similarity to steroid hormones. It is also used in research for the development of new drugs and in the production of certain polymers. Additionally, it may be involved in the synthesis of other chemical intermediates and has potential uses in sensor technology and semiconductor manufacturing.

What precautions should be taken when handling (16alpha)-21-Chloro-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-17-yl 2-furoate (CAS: 83880-65-3)?

When handling (16alpha)-21-Chloro-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-17-yl 2-furoate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or under a fume hood to prevent inhalation. If a spill occurs, it should be cleaned up immediately with caution, using appropriate spill containment materials. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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