17beta-Estradiol hemisuccinate

Base Information

• Chemical Name: 17beta-Estradiol hemisuccinate
• CAS No.: 7698-93-3
• Molecular Formula: C22H28 O5
• Molecular Weight: 372.461
• European Community (EC) Number: 636-022-8
• UNII: VQV5064VG6
• DSSTox Substance ID: DTXSID00227770
• Nikkaji Number: J731.000E
• Wikipedia: Estradiol_hemisuccinate
• Wikidata: Q24884541
• Metabolomics Workbench ID: 151045
• ChEMBL ID: CHEMBL1233274
• Mol file: 7698-93-3.mol

Synonyms:17 alpha-estradiol hemisuccinate;17 beta-estradiol hemisuccinate;beta-estradiol-17 beta-hemisuccinate

Chemical Property of 17beta-Estradiol hemisuccinate

Chemical Property:

• Vapor Pressure: 7.79E-14mmHg at 25°C
• Boiling Point: 570.1°C at 760 mmHg
• Flash Point: 198.7°C
• PSA: 83.83000
• Density: 1.27g/cm³
• LogP: 4.02490
• Storage Temp.: Hygroscopic, Refrigerator, Under inert atmosphere
• Solubility.: DMSO (Slightly), THF (Slightly)
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 372.19367399
• Heavy Atom Count: 27
• Complexity: 589

Purity/Quality:

98%Min ^*data from raw suppliers

Estradiol 17b hemisuccinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-40
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O
• Uses: beta-Estradiol 17-hemisuccinate is useful for preparing noncovalently surface-?modified carbon dots that selectively targets and stains estrogen receptor (ER)?-?rich cancer cells.

Technology Process of 17beta-Estradiol hemisuccinate

There total 2 articles about 17beta-Estradiol hemisuccinate 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:

→ estra-1,3,5(10)-triene-3,17β-diol 17β-hemisuccinate (7698-93-3,65684-87-9,93939-81-2)

Guidance literature:

Estradiol, Bernsteinsaeure-anhydrid;

Reference yield:

succinic acid anhydride (108-30-5) + estradiol (1093411-48-3) → estradiol-17-hemisuccinate (7698-93-3,65684-87-9,93939-81-2)

Guidance literature:

estradiol; With pyridine; In benzene; Heating / reflux;

succinic acid anhydride; In benzene; for 24h; Heating / reflux;

With hydrogenchloride; sodium hydrogencarbonate; more than 3 stages;

Reference yield: 84.9%

Arg(Nω-NO2)-Gly-Asp(OBn)-Phe-OBn hydrochloride + Estradiol-17-hemisuccinate (7698-93-3) → estradiol-17β-O-4-oxobutanoyl-Arg(Nω-NO2)-Gly-Asp(OBn)-Phe-OBn (906673-85-6)

Guidance literature:

Estradiol-17-hemisuccinate; With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In tetrahydrofuran; at 0 ℃; for 0.5h; under 750.075 Torr; Inert atmosphere;

Arg(Nω-NO2)-Gly-Asp(OBn)-Phe-OBn hydrochloride; With 4-methyl-morpholine; In tetrahydrofuran; at 0 ℃; under 750.075 Torr; pH=8.5; Inert atmosphere;

DOI:10.1016/j.ejmech.2008.09.036

upstream raw materials:

succinic acid anhydride

estradiol

Downstream raw materials:

C₅₇H₆₈Cl₂N₆O₁₀

C₅₃H₆₀Cl₂N₆O₁₀

estradiol-17β-O-4-oxobutanoyl-Arg(Nω-NO2)-Gly-Asp(OBn)-Ser(Bn)-OBn

estradiol-17β-O-4-oxobutanoyl-Arg(Nω-NO2)-Gly-Asp(OBn)-Val-OBn

Refernces

• 1、 Bucourt et al.. "New biospecific adsorbents for the purification of estradiol receptor.". . p. 8221,8227.8228. Retrieved 2007/10/12.