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(S,S)-Hexestrol

Base Information
  • Chemical Name:(S,S)-Hexestrol
  • CAS No.:84-16-2
  • Molecular Formula:C18H22O2
  • Molecular Weight:270.371
  • Hs Code.:
  • European Community (EC) Number:227-082-2
  • Nikkaji Number:J2.196.427A
  • Wikipedia:Hexestrol
  • NCI Thesaurus Code:C545
  • Mol file:84-16-2.mol
(S,S)-Hexestrol

Synonyms:hexestrol;Hormoestrol;Mesohexestrol;Syntrogene;Estrifar;Estronal;Synthovo;Hexron;Erythrohexestrol;NSC 9894

Suppliers and Price of (S,S)-Hexestrol
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TCI Chemical
  • Hexestrol >98.0%(GC)
  • 10g
  • $ 221.00
  • TCI Chemical
  • Hexestrol >98.0%(GC)
  • 1g
  • $ 48.00
  • Sigma-Aldrich
  • Hexestrol analytical standard
  • 1g
  • $ 52.90
  • Sigma-Aldrich
  • Hexestrol analytical standard
  • 5g
  • $ 179.00
  • Medical Isotopes, Inc.
  • Hexestrol
  • 1 g
  • $ 2120.00
  • Crysdot
  • meso-Hexestrol 95+%
  • 250mg
  • $ 81.00
  • Cayman Chemical
  • Hexestrol
  • 1g
  • $ 48.00
  • Cayman Chemical
  • Hexestrol
  • 500mg
  • $ 25.00
  • ApexBio Technology
  • Hexestrol
  • 1unit
  • $ 28.00
  • ApexBio Technology
  • Hexestrol
  • 200mg
  • $ 50.00
Total 80 raw suppliers
Chemical Property of (S,S)-Hexestrol
Chemical Property:
  • Appearance/Colour:crystalline solid 
  • Melting Point:186 °C 
  • Refractive Index:1.4800 (estimate) 
  • Boiling Point:399.5 °C at 760 mmHg 
  • PKA:9.80±0.26(Predicted) 
  • Flash Point:181.6 °C 
  • PSA:40.46000 
  • Density:1.093 g/cm3 
  • LogP:4.78520 
  • Storage Temp.:Sealed in dry,Room Temperature 
  • Solubility.:almost transparency in Methanol 
  • XLogP3:5.2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:5
  • Exact Mass:270.161979940
  • Heavy Atom Count:20
  • Complexity:235
Purity/Quality:

99% *data from raw suppliers

Hexestrol >98.0%(GC) *data from reagent suppliers

Safty Information:
  • Pictogram(s): Toxic
  • Hazard Codes:
  • Statements: 45 
  • Safety Statements: 53-45 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O
  • Isomeric SMILES:CC[C@H](C1=CC=C(C=C1)O)[C@H](CC)C2=CC=C(C=C2)O
  • Uses Nonsteroidal synthetic estrogen Estrogen; antineoplastic (hormonal).
  • Therapeutic Function Estrogen
Technology Process of (S,S)-Hexestrol

There total 72 articles about (S,S)-Hexestrol 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:
Guidance literature:
With hydrogen; palladium on activated charcoal; In ethyl acetate; at 20 ℃; for 48h;
DOI:10.1016/S0022-328X(03)00539-4
Guidance literature:
Multi-step reaction with 2 steps
1: methanol; Raney nickel / 210 °C / 194910 Torr / Hydrogenation
2: aqueous HI; acetic acid / 135 - 140 °C
With methanol; hydrogen iodide; nickel; acetic acid;
DOI:10.1021/ja01225a506
Refernces

Functionalization of the methylene bridges of the calix[6]arene scaffold

10.1021/jo801187z

The research focuses on the functionalization of the methylene bridges of the calix[6]arene scaffold, aiming to develop a versatile method for the introduction of substituents at all of the methylene groups of the calix[6]arene framework. The study successfully replaced bromine atoms of the hexabromo calixarene derivative with various nucleophiles under SN1 conditions, yielding calix[6]arene derivatives with identical functionalities at all bridges. Key chemicals used in the process include primary and secondary alcohols, hexafluoroisopropanol (HFIP), hexafluoroacetone, sodium azide, aniline, acetic acid, and 2,4-pentanedione. The reactions proceeded with high diastereoselectivity, predominantly yielding the rc5 (all-cis) form, and the resulting calix[6]arene derivatives exhibited a "pinched cone" conformation with 3-fold symmetry. The introduction of substituents at the bridges was found to rigidify the calix[6]arene scaffold, which could be beneficial for preorganization in various applications. The study concluded that a wide array of nucleophiles could be used for this functionalization, and the reactions were generally cleaner compared to those involving tetrabromo derivatives, with fewer side reactions observed.

Regioselective and Stereoselective Heck-Matsuda Arylations of Trisubstituted Allylic Alkenols and Their Silyl and Methyl Ether Derivatives to Access Two Contiguous Stereogenic Centers: Expanding the Redox-Relay Process and Application in the Total Synthesis of meso-Hexestrol

10.1021/acs.joc.7b03098

The research explores the development of novel palladium-catalyzed redox-relay Heck arylation reactions. The study focuses on the use of trisubstituted allylic alkenols and their silyl and methyl ether derivatives to form α,β-disubstituted methyl ketones containing two contiguous stereocenters. Key chemicals involved in the research include various trisubstituted alkenols (such as (E)-3-methylhex-3-en-2-ol), silyl ethers (like tert-butyldimethyl((3-methylhex-3-en-2-yl)oxy)silane), and methyl ethers (such as (E)-2-methoxy-3-methylhex-3-ene). Arenediazonium salts, such as 4-chlorobenzenediazonium tetrafluoroborate, also play a crucial role as electrophiles in the Heck-Matsuda reaction. The reactions are catalyzed by palladium complexes like Pd(TFA)2 and proceed under mild conditions in methanol, yielding products with excellent anti diastereoselectivity. The study demonstrates that the presence of a free hydroxyl group is not essential for an effective redox-relay process, as silyl and methyl ethers can also undergo late oxidation. This method was successfully applied in the total synthesis of meso-hexestrol, showcasing its potential for constructing complex organic structures.

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