17BETA-ESTRADIOL-16,16-D2

Base Information

• Chemical Name: 17BETA-ESTRADIOL-16,16-D2
• CAS No.: 3188-46-3
• Molecular Formula: C₁₈H₂₄O₂
• Molecular Weight: 274.371
• Mol file: 3188-46-3.mol

Synonyms:17BETA-ESTRADIOL-16,16-D2

Chemical Property of 17BETA-ESTRADIOL-16,16-D2

Chemical Property:

• PSA: 40.46000
• LogP: 3.60920

Purity/Quality:

99% ^*data from raw suppliers

17β-Estradiol-16,16-d2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 17beta-Estradiol-16,16-d2 (CAS# 3188-46-3) is a useful isotopically labeled research compound.

Technology Process of 17BETA-ESTRADIOL-16,16-D2

There total 5 articles about 17BETA-ESTRADIOL-16,16-D2 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:

Estrone (53-16-7) → <16,16-D2>-17β-estradiol (3188-46-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOD / D₂O; CH₃OD / 24 h / 60 °C

2: NaBH₄ / 0.5 h / Ambient temperature

With sodium tetrahydroborate; deuteriated sodium hydroxide; In deuteromethanol; water-d2;

DOI:10.1002/oms.1210270612

Reference yield:

16,16-di-deuterium-estra-1,3,5(10)-triene-17-one (56588-58-0) → <16,16-D2>-17β-estradiol (3188-46-3)

Guidance literature:

With sodium tetrahydroborate; for 0.5h; Ambient temperature;

DOI:10.1002/oms.1210270612

Reference yield:

<16,16-(2)H2>estra-5(10)-ene-3,17-dione (151058-16-1) → 16,16-di-deuterium-estra-1,3,5(10)-triene-17-one (56588-58-0) + <16,16-D2>-17β-estradiol (3188-46-3) + <16,16-(2)H2>-estra-5(10),6-diene-3β,17β-diol + <16,16-(2)H2>-estr-5(10)-ene-3β,17β-diol + <16,16-(2)H2>-17β-hydroxyestr-4-ene-3-one + <16,16-(2)H2>-10β-hydroxyestr-4-ene-3,17-dione

Guidance literature:

In ethanol; at 37 ℃; for 1h; Product distribution; Mechanism; NADPH, glucose 6-phosphate, dithiothreitol, glucose-6-phosphate dehydrogenase, tris-malate buffer pH 7.2, microsomal placental aromatase, 1M NaOH, air; also at pH 6.5 or in the presence of bovine albumin instead of the aromatase;

upstream raw materials:

16,16-di-deuterium-estra-1,3,5⁽¹⁰⁾-triene-17-one

<16,16-(2)H2>estra-5(10)-ene-3,17-dione

Estrone

Downstream raw materials:

<16,16-D2>-17β-estradiol-17-stearate

17β-estradiol-17-<2',2'-D2>stearate