6639-99-2

Basic information

• Product Name: 17ALPHA-DIHYDROEQUILIN (50 MG)
• Synonyms: ½alfa-dihydroequilenina;alpha Dihydroequilenin;alpha-estra-1,3,5,7,9-pentaen-3,17-diol;17ALPHA-DIHYDROEQUILIN (50 MG);estra-1,3,5,7,9-pentaene-3,17alpha-diol;Estra-1,3,5,7,9-pentene-3,17α-diol;(17α)-Estra-1,3,5,7,9-pentaene-3,17-diol
• CAS NO: 6639-99-2
• Molecular Formula: C₁₈H₂₀O₂
• Molecular Weight: 268.3502
• EINECS: 229-650-5
• Product Categories: Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;Steroids
• Mol File: 6639-99-2.mol
• Article Data: 3

Chemical Properties

• Melting Point: 216°C
• Boiling Point: 350.53°C (rough estimate)
• Appearance: /
• Density: 1.1199 (rough estimate)
• Refractive Index: 1.4800 (estimate)
• Storage Temp.: Refrigerator
• Solubility: Dioxane (Slightly), DMSO (Slightly), Methanol (Slightly)
• PKA: 9.78±0.60(Predicted)
• CAS DataBase Reference: 17ALPHA-DIHYDROEQUILIN (50 MG)(CAS DataBase Reference)
• NIST Chemistry Reference: 17ALPHA-DIHYDROEQUILIN (50 MG)(6639-99-2)
• EPA Substance Registry System: 17ALPHA-DIHYDROEQUILIN (50 MG)(6639-99-2)

Safety Data

• Hazardous Substances Data: 6639-99-2(Hazardous Substances Data)

Usage

Chemical Properties

Yellow Solid

Uses

The 17α-metabolite of Equilin (E592800).

Upstream product

• 517-09-9 equilenin 
• 555-31-7 aluminum isopropoxide 
• 67-63-0 isopropyl alcohol 
• 632-38-2 (+/-)-3-hydroxy-13r-methyl-(14tH)-11,12,13,14,15,16-hexahydro-11H-cyclopenta[a]phenanthren-17-one 
• 2911-86-6 (+/-)-3-methoxyestra-1,3,5⁽¹⁰⁾,8-tetraen-17-one 
• 13944-54-2 rac-8α,17β-dihydroxy-3-methoxy-oestra-1,3,5(10),9(11)-tetraen 
• 21611-23-4 (+/-)-8α-hydroxy-3-methoxyestra-1,3,5(10),9(11)-tetraen-17-one 
• 2919-30-4 (+/-)-3-Methoxy-18-methylestra-1,3,5(10),8-tetraen-17β-ol 
• 6030-80-4 3-Hydroxy-1,3,5⁽¹⁰⁾,7-estratetraen-17-one 3-benzoate 
• 474-86-2 d,l-equilin 
• 604-58-0 equilenin-3-benzoate 
• 1229-32-9 (+/-)-3-methoxyestra-1,3,5⁽¹⁰⁾,6,8-pentaen-17-one 
• 88599-97-7 17β-dihydroequilenin-3-benzoate 
• 17253-36-0 3-O-methyl-estra-1,3,5⁽¹⁰⁾,6-tetraen-17-one 

Downstream Products

• 57-91-0 α-estradiol 
• 517-08-8 estratriene-(B)-diol-(3α.17α) 
• 517-07-7 estratriene-(B)-diol-(3β.17α) 
• 88599-97-7 benzoic acid-(17α-hydroxy-estrapentaen-(A.B)-yl-(3)-ester) 

Relevant articles and documents

Practical semisynthesis of equilenin and its derivatives

Equilenin 2 and its derivatives are important intermediates in the synthesis of steroidal drugs. Until now, these estrogens were produced by extraction from pregnant mare's urine due to the lack of efficient synthetic methods. Most reported semisyntheses of equilenin involve expensive raw materials or toxic reagents to suppress undesired epimerization at C/D ring juncture. Herein, we reported a practical synthesis of highly pure equilenin and its derivatives from an easily available raw material 6 with conventional reagents.

B-ring aromatization of estrogen derivatives

A noval method of B-ring aromatization of steroid derivatives is reported. Addition of BrCl in methanol to a non-aromatic B-ring double bond results in a rapid double elimination generating the aromatic B-ring. This procedure represents an effective method for conversion of an equilin to an equilenin nucleus.