1,3,5[10]-Estratriene-2,4-D2-3,17beta-diol

Base Information

Chemical Name:1,3,5[10]-Estratriene-2,4-D2-3,17beta-diol
CAS No.:53866-33-4
Molecular Formula:C18H22 D2 O2
Molecular Weight:274.42
Hs Code.:
European Community (EC) Number:637-269-4
Nikkaji Number:J79.379E
Mol file:53866-33-4.mol

Synonyms:53866-33-4;2,4-Dideuterioestradiol;1,3,5[10]-ESTRATRIENE-2,4-D2-3,17BETA-DIOL;17Beta-Estradiol-D2;Estradiol-d2;(8R,9S,13S,14S,17S)-2,4-dideuterio-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;beta-Estradiol-d2;17beta-Estradiol-2,4-d2;HY-B0141S3;beta-Estradiol-d2, 98 atom % D;17beta-Estradiol D2 (2,4-D2);ESTRA-1,3,5(10)-TRIENE-2,4-D2-3,17-DIOL, (17-beta)-;PD043953;CS-0374425;(1S,3aS,3bR,9bS,11aS)-11a-methyl(6,8-?H?)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol;Estra-1,3,5(10)-triene-2,4-d2-3,17-diol, (17?)-;(17?)-Estra-1,3,5(10)-triene-2,4-d2-3,17-diol;2,4-Dideuterioestradiol: 17beta-Estradiol D2 (2,4 D2)

Suppliers and Price of 1,3,5[10]-Estratriene-2,4-D2-3,17beta-diol

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

Sigma-Aldrich
β-Estradiol-d2 98 atom % D
5mg
$ 370.00

Medical Isotopes, Inc.
17β-Estradiol-2,4-d2
50 mg
$ 990.00

Cayman Chemical
17β-Estradiol-d2 ≥98%
1mg
$ 53.00

Cayman Chemical
17β-Estradiol-d2 ≥98%
500μg
$ 28.00

Cayman Chemical
17β-Estradiol-d2 ≥98%
5mg
$ 216.00

American Custom Chemicals Corporation
17BETA-ESTRADIOL-D2 95.00%
5MG
$ 496.28

AK Scientific
2,4-Dideuterioestradiol
1mg
$ 164.00

aablocks
1,3,5[10]-ESTRATRIENE-2,4-D2-3,17BETA-DIOL ≥98%
50mg
$ 1288.00

aablocks
1,3,5[10]-ESTRATRIENE-2,4-D2-3,17BETA-DIOL ≥98%
5mg
$ 300.00

aablocks
1,3,5[10]-ESTRATRIENE-2,4-D2-3,17BETA-DIOL ≥98%
1mg
$ 110.00

Total 12 raw suppliers

Chemical Property of 1,3,5[10]-Estratriene-2,4-D2-3,17beta-diol

Chemical Property:

Vapor Pressure:9.82E-09mmHg at 25°C
Boiling Point:445.9 °C at 760 mmHg
Flash Point:209.6 °C
PSA：40.46000
Density:1.179 g/cm³
LogP:3.60920
Storage Temp.:-20°C Freezer
Solubility.:DMSO (Slightly, Heated), Methanol (Slightly, Sonicated)
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:274.190183496
Heavy Atom Count:20
Complexity:382

Purity/Quality:

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

β-Estradiol-d2 98 atom % D ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T
Statements: 45-46-61-20/21/22
Safety Statements: 53-22-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
Isomeric SMILES:[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)C(=C1O)[2H]
Uses 17beta-Estradiol-2,4-d2 (CAS# 53866-33-4) is a useful isotopically labeled research compound.

Technology Process of 1,3,5[10]-Estratriene-2,4-D2-3,17beta-diol

There total 3 articles about 1,3,5[10]-Estratriene-2,4-D2-3,17beta-diol 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: 100.0%

: 50-28-2
estradiol

: 53866-33-4
17β-estradiol-2,4-d2

Guidance literature:: With perchloric acid; chloroform-d1; d⁽⁴⁾-methanol; at 75 ℃; for 144h; Inert atmosphere;
DOI:10.1021/acs.joc.0c01604

Reference yield:

: 22879-34-1
4-acetoxymercurio-1,3,5(10)-estratriene-3,17β-diol

: 53866-33-4
17β-estradiol-2,4-d2

Guidance literature:: With deuteroacetic acid; water; water-d2; potassium carbonate; Yield given. Multistep reaction; 1) reflux, 3 h, 2) methanol, 20 h;
DOI:10.1016/0039-128X(83)90052-1