(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

Base Information

Chemical Name:(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
CAS No.:114611-53-9
Molecular Formula:C21H29IO2
Molecular Weight:440.35800
Hs Code.:
DSSTox Substance ID:DTXSID10475467
Wikidata:Q72483318
Mol file:114611-53-9.mol

Synonyms:114611-53-9;(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate;17-Iodoandrosta-5,16-dien-3beta-ol 3-acetate;[(3S,8R,9S,10R,13S,14S)-17-iodo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;(3beta)-17-Iodoandrosta-5,16-dien-3-yl acetate;SCHEMBL10273608;AMY6947;DTXSID10475467;BCP12289;17-Iodoandrosta-5,16-dien-3?-ol;AKOS016004091;AC-25766;D88128;A894182;(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ylacetate

Suppliers and Price of (3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

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

Matrix Scientific
(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate 95+%
1g
$ 2268.00

Crysdot
(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ylacetate 95+%
250mg
$ 378.00

Crysdot
(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ylacetate 95+%
1g
$ 947.00

Chemenu
(3beta)-17-Iodoandrosta-5,16-dien-3-ylacetate 95%
1g
$ 893.00

American Custom Chemicals Corporation
(3S,8R,9S,10R,13S,14S)-17-IODO-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL ACETATE 95.00%
5MG
$ 497.82

AK Scientific
(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ylacetate
1g
$ 3111.00

Total 67 raw suppliers

Chemical Property of (3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

Chemical Property:

Boiling Point:455.8±45.0 °C(Predicted)
PSA：26.30000
Density:1.41
LogP:5.80970
Storage Temp.:2-8°C
XLogP3:5.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:440.12123
Heavy Atom Count:24
Complexity:621

Purity/Quality:

99% ^*data from raw suppliers

(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC=C4I)C)C
Isomeric SMILES:CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4I)C)C
Uses 17-Iodoandrosta-5,16-dien-3β-ol is used in synthesis of Oxoabiraterone Acetate.Also, in preparation of Abiraterone Acetate.

Technology Process of (3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

There total 4 articles about (3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate 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: 80.0%

: 122914-94-7
3β-acetoxyandrost-5-en-17-hydrazone

: 114611-53-9
17-iodoandrosta-5,16-dien-3β-ol 3-acetate

Guidance literature:: With iodine; In tetrahydrofuran; at -5 - 10 ℃; for 6.33h; Inert atmosphere;

Reference yield: 38.8%

: 32138-69-5
17-iodo-5,16-androstadien-3-ol

: 108-24-7
acetic anhydride

: 114611-53-9
17-iodoandrosta-5,16-dien-3β-ol 3-acetate

Guidance literature:: With dmap; In acetone; at 55 - 65 ℃; for 2h;

Reference yield:

: 853-23-6
prasterone acetate

: 114611-53-9
17-iodoandrosta-5,16-dien-3β-ol 3-acetate

Guidance literature:: Multi-step reaction with 2 steps

1: hydrazine hydrate; sulfuric acid / ethanol / 1 h / 20 °C / Large scale

2: iodine; N,N,N',N'-tetramethylguanidine / tetrahydrofuran / 0.17 h / Large scale

With hydrazine hydrate; sulfuric acid; iodine; N,N,N',N'-tetramethylguanidine; In tetrahydrofuran; ethanol;