1,3,5[10]-ESTRATRIENE-3,17BETA-DIOL 3-SULFATE SODIUM SALT

Base Information

• Chemical Name: 1,3,5[10]-ESTRATRIENE-3,17BETA-DIOL 3-SULFATE SODIUM SALT
• CAS No.: 4999-79-5
• Molecular Formula: C18H24 O5 S . Na
• Molecular Weight: 374.433
• Mol file: 4999-79-5.mol

Synonyms:Estra-1,3,5(10)-triene-3,17-diol(17b)-, 3-(hydrogen sulfate),monosodium salt (9CI); Estradiol, 3-(hydrogen sulfate), monosodium salt(6CI,7CI,8CI); 17b-Estradiolsodium sulfate

Chemical Property of 1,3,5[10]-ESTRATRIENE-3,17BETA-DIOL 3-SULFATE SODIUM SALT

Chemical Property:

• Melting Point: 207 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 95.04000
• Density: g/cm³
• LogP: 3.82340
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly), Water (Slightly)

Purity/Quality:

98%,99%, ^*data from raw suppliers

17β-Estradiol3-O-SulfateSodiumSalt ^*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

Useful:

• Uses: 17β-Estradiol 3-O-Sulfate Sodium Salt is a neuroactive steroid used in the studies of human recombinant p1 γ-aminobutyric acid type C (GABAC) recptors. β-Estradiol 3-sulfate sodium salt has been used to measure the estradiol level from culture supernatant in ultra-performance liquid chromatography-tandem mass spectrometry.

Technology Process of 1,3,5[10]-ESTRATRIENE-3,17BETA-DIOL 3-SULFATE SODIUM SALT

There total 4 articles about 1,3,5[10]-ESTRATRIENE-3,17BETA-DIOL 3-SULFATE SODIUM SALT 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: 94.0%

C20H25F3O5S → (17β)-3-(sulfooxy)estra-1,3,5(10)-trien-17-ol sodium salt (4999-79-5)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 70 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2010.11.085

Reference yield: 90.0%

estradiol (50-28-2) + sodium t-butanolate (865-48-5) → (17β)-3-(sulfooxy)estra-1,3,5(10)-trien-17-ol sodium salt (4999-79-5)

Guidance literature:

estradiol; sodium t-butanolate; In tetrahydrofuran; at 22 ℃; for 0.25h;

With triethylamine sulfur trioxide; In tetrahydrofuran; for 0.5h;

Reference yield: 57.0%

estradiol (50-28-2) + p-nitrophenyl sulfate (1080-04-2) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + (17β)-3-(sulfooxy)estra-1,3,5(10)-trien-17-ol sodium salt (4999-79-5)

Guidance literature:

With arylsulfate sulfotransferase from Desulfitobacterium hafniense; In aq. buffer; at 30 ℃; pH=9; regioselective reaction; Green chemistry; Enzymatic reaction;

DOI:10.1002/adsc.201200564

upstream raw materials:

estradiol

sodium t-butanolate

p-nitrophenyl sulfate

Refernces

• 1、 Desoky, Ahmed Y.,Hendel, Jennifer,Ingram, Laura,Taylor, Scott Douglas. "Preparation of trifluoroethyl- and phenyl-protected sulfates using sulfuryl imidazolium salts". supporting information; experimental part. p. 1281 - 1287. Retrieved 2011/03/23.