11-Methoxy-17-iodovinylestradiol

Base Information

• Chemical Name: 11-Methoxy-17-iodovinylestradiol
• CAS No.: 90857-55-9
• Molecular Formula: C₂₁H₂₇IO₃
• Molecular Weight: 452.444
• ChEMBL ID: CHEMBL1628118
• Mol file: 90857-55-9.mol

Synonyms:11 beta-methoxy-17 alpha-iodovinylestradiol;11-methoxy-17-iodovinyl estradiol;11-methoxy-17-iodovinylestradiol;11-MIVE;17 alpha-iodovinyl-11 beta-methoxyestradiol;iodine(123)-cis-11beta-methoxy-17alpha-iodovinyl estradiol;IVME2;Z-MIVE

Chemical Property of 11-Methoxy-17-iodovinylestradiol

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 49.69000
• Density: 1.53g/cm³
• LogP: 4.55300
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 452.10065
• Heavy Atom Count: 25
• Complexity: 537

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC(C3C(C1CCC2(C=CI)O)CCC4=C3C=CC(=C4)O)OC
• Isomeric SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(/C=C/[125I])O)CCC4=C3C=CC(=C4)O)OC

Technology Process of 11-Methoxy-17-iodovinylestradiol

There total 2 articles about 11-Methoxy-17-iodovinylestradiol 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: 70.0%

(17α,20E)-21-(tributylstannyl)-11β-methoxy-19-norpregna-1,3,5(10),20-tetraene-3,17-diol (94156-16-8,104011-22-5,104011-24-7) → (17α,20E)-21-<125I>iodo-11β-methoxy-19-norpregna-1,3,5(10),20-tetraene-3,17-diol (90857-55-9)

Guidance literature:

With sodium (12?I)iodide; water; sodium acetate; acetic acid; for 0.166667h; Ambient temperature;

DOI:10.1021/jm00106a054

Reference yield:

(17α,20E)-21-<125I>iodo-11β-methoxy-19-norpregna-1,3,5(10),20-tetraene-3,17-diol 3-acetate (91085-43-7) → (17α,20E)-21-<125I>iodo-11β-methoxy-19-norpregna-1,3,5(10),20-tetraene-3,17-diol (90857-55-9)

Guidance literature:

With sodium acetate; sodium carbonate; In methanol; diethyl ether; for 1h; Ambient temperature;

DOI:10.1021/jm00376a010

upstream raw materials:

(17α,20E)-21-(tributylstannyl)-11β-methoxy-19-norpregna-1,3,5(10),20-tetraene-3,17-diol

(17α,20E)-21-<¹²⁵I>iodo-11β-methoxy-19-norpregna-1,3,5(10),20-tetraene-3,17-diol 3-acetate