116506-50-4

Basic information

• Product Name: 4-methoxyequilenin
• Synonyms: 4-methoxyequilenin
• CAS NO: 116506-50-4
• Molecular Formula: C19H20 O3
• Molecular Weight: 296.36
• Mol File: 116506-50-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 492.8°Cat760mmHg
• Flash Point: 180.4°C
• Appearance: /
• Density: 1.243g/cm³
• Vapor Pressure: 2.46E-10mmHg at 25°C
• Refractive Index: 1.642
• PKA: 8.23±0.40(Predicted)
• CAS DataBase Reference: 4-methoxyequilenin(CAS DataBase Reference)
• NIST Chemistry Reference: 4-methoxyequilenin(116506-50-4)
• EPA Substance Registry System: 4-methoxyequilenin(116506-50-4)

Safety Data

• Hazardous Substances Data: 116506-50-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C19H20O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h3-5,7,15,20H,6,8-10H2,1-2H3/t15-,19-/m0/s1

Upstream product

• 116506-49-1 3-hydroxy-4-methoxy-17-ethylenedioxy-1,3,5⁽¹⁰⁾,6,8-estrapentaene 
• 116506-38-8 4-bromo-3-hydroxy-1,3,5⁽¹⁰⁾,7-estratetraen-17-one 
• 116506-47-9 7ξ,8ξ-epoxy-3-hydroxy-4-iodo-1,3,5(10)-estratrien-17-one 
• 116506-39-9 4-bromo-3-hydroxy-17-ethylenedioxy-1,3,5⁽¹⁰⁾,7-estratetraene 
• 116506-40-2 3-hydroxy-4-methoxy-17-ethylenedioxy-1,3,5⁽¹⁰⁾,7-estratetraene 
• 116506-48-0 7ξ,8ξ-epoxy-3-hydroxy-4-iodo-17-ethylenedioxy-1,3,5(10)-estratriene 
• 474-86-2 equilin 
• 36070-30-1 7ξ,8ξ-epoxy-3-hydroxy-1,3,5(10)-estratrien-17-one 
• 116506-41-3 3-hydroxy-4-methoxy-1,3,5⁽¹⁰⁾,7-estratetraen-17-one 

Relevant articles and documents

SYNTHESIS OF 2-METHOXY AND 4-METHOXY EQUINE ESTROGENS

4-Methoxyequilin and 2-methoxyequilin were synthesized from the corresponding 4-bromoequilin and 2-iodoequilin derivatives, respectively, by nucleophilic displacement of halogen with methoxide ion in the presence of copper(II)chloride and 15-crown-5-ether. 4-Bromoequilin was prepared by reacting equilin with one equivalent of N-bromoacetamide. 2-Iodoequilin was prepared by reductive dehalogenation of 2,4-diiodoequilin, which in turn was obtained by treatment of equilin with two equivalents of iodine in methanolic ammonium hydroxide solution. 4-Methoxyequilenin and 2-methoxyequilenin were prepared from the corresponding 4-iodo- and 2-iodo-7ξ,8ξ-epoxyestrone derivatives, respectively.Nucleophilic displacement of iodine with methoxide ion was carried out as described earlier with simultaneous aromatization of the B ring leading to 4- and 2-methoxyequilenin derivatives.Alternatively, 4-methoxyequilenin was obtained from 4-methoxyequilin by selenium dioxide oxidation.