Dihydro Dutasteride

Base Information

Chemical Name:Dihydro Dutasteride
CAS No.:164656-22-8
Molecular Formula:C27H32F6N2O2
Molecular Weight:530.554
Hs Code.:
UNII:Y7B42KG7F8
Mol file:164656-22-8.mol

Synonyms:Dihydro Dutasteride;164656-22-8;1,2-Dihydrodutasteride;Y7B42KG7F8;Dihydrodutasteride;GI201448X;(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide;1H-Indeno(5,4-F)quinoline-7-carboxamide, N-(2,5-bis(trifluoromethyl)phenyl)hexadecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-;UNII-Y7B42KG7F8;SCHEMBL1100263;AIUHDIPAGREENV-QWBYCMEYSA-N;DIHYDRODUTASTERIDE [USP-RS];AKOS040732982;(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-[2,5-Bis(trifluoroMethyl)phenyl]hexadecahydro-4a,6a-diMethyl-2-oxo-1H-Indeno[5,4-f]quinoline-7-carboxaMide;HY-135385;CS-0112218;A935575;N-(2,5-Bis(trifluoromethyl)phenyl)-3-oxo-4-aza-5alpha-androstane-17beta-carboxamide;N-(2,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-OXO-4-AZA-5.ALPHA.-ANDROSTANE-17.BETA.-CARBOXAMIDE;N-[2,5-Bis(trifluoromethyl)phenyl]-3-oxo-4-aza-5?-androstane-17?-carboxamide (Dihydrodutasteride)

Suppliers and Price of Dihydro Dutasteride

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

Usbiological
Dihydro Dutasteride
10mg
$ 460.00

TRC
DihydroDutasteride
100mg
$ 1390.00

TRC
DihydroDutasteride
10mg
$ 180.00

Medical Isotopes, Inc.
Dihydrodutasteride
10 mg
$ 390.00

Total 17 raw suppliers

Chemical Property of Dihydro Dutasteride

Chemical Property:

Boiling Point:613.8±55.0 °C(Predicted)
PKA:13.33±0.70(Predicted)
PSA：58.20000
Density:1.286±0.06 g/cm3(Predicted)
LogP:7.20190
Storage Temp.:Refrigerator
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:6.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:530.23679724
Heavy Atom Count:37
Complexity:922

Purity/Quality:

99% ^*data from raw suppliers

Dihydro Dutasteride ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CCC5C3(CCC(=O)N5)C
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(CCC(=O)N5)C
Uses Dihydro Dutasteride is an impurity arose during the process development of Dutasteride (D735000).

Technology Process of Dihydro Dutasteride

There total 6 articles about Dihydro Dutasteride 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: 93.0%

: 328-93-8
2,5-bis(trifluoromethyl)aniline

: 73671-92-8
3-oxo-4-aza-5α-androstane-17β-carboxylic acid methyl ester

: 164656-22-8
(5α,17β)-N-[2,5-bis(trifluoromethyl)-phenyl]-3-oxo-4-aza-5-androstane-17-carboxamide

Guidance literature:: 3-oxo-4-aza-5α-androstane-17β-carboxylic acid methyl ester; With boron tribromide; In dichloromethane; at 25 ℃; for 0.333333h;

2,5-bis(trifluoromethyl)aniline; In dichloromethane; at 50 ℃;

Reference yield: 56.0%

: 328-93-8
2,5-bis(trifluoromethyl)aniline

: 103335-55-3,1430804-94-6
3-oxo-4-aza-5α-androstane-17β-carboxylic acid

: 164656-22-8
(5α,17β)-N-[2,5-bis(trifluoromethyl)-phenyl]-3-oxo-4-aza-5-androstane-17-carboxamide

Guidance literature:: 3-oxo-4-aza-5α-androstane-17β-carboxylic acid; With pyridine; thionyl chloride; In toluene; at 2 - 20 ℃; for 2.5h;

2,5-bis(trifluoromethyl)aniline; In toluene; at 20 ℃; for 192h;
DOI:10.1016/j.steroids.2017.05.014

Reference yield:

: 20283-95-8
3,20-dioxo-4-aza-pregnan-5-ene

: 164656-22-8
(5α,17β)-N-[2,5-bis(trifluoromethyl)-phenyl]-3-oxo-4-aza-5-androstane-17-carboxamide

Guidance literature:: Multi-step reaction with 4 steps

1: hydrogen; palladium 10% on activated carbon; triethylamine / 6225.62 Torr

2: sodium hydroxide; bromine / water; 1,4-dioxane / 3 h / 5 - 7 °C

3: triethylamine / acetonitrile / 4 h / -7 - -5 °C / Inert atmosphere

4: boron trifluoride diethyl etherate / acetonitrile / 4 h / -10 - -8 °C

With palladium 10% on activated carbon; boron trifluoride diethyl etherate; hydrogen; bromine; triethylamine; sodium hydroxide; In 1,4-dioxane; water; acetonitrile;