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Basic Information

Molecular Structure:
CAS No.:	84371-57-3
Name:	(5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal
Article Data:	8

Formula:	C23H30O4
Molecular Weight:	370.489
Synonyms:	CYMI-001;NRUIWWWJNIPUBD-XZJZWBLTSA-N;5α,10α-Epoxy-3,3-(ethylenedioxy)-17β-hydroxy-17α-(1-propynyl)-9(11)-estrene;5α,10α-Epoxy-17β-hydroxy-17-(1-propynyl)estr-9(11)-en-3-one Cyclic Ethylene Acetal;(5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal;Estr-9(11)-en-3-one, 5,10-epoxy-17-hydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (5α,10α,17β)-
Melting Point:	122-125°C
PSA:	51.22000
LogP:	3.33200

Synthetic route

: 16466-97-0, 13254-27-8
1-propynylmagnesium bromide

: 39931-88-9, 116003-08-8, 39931-87-8
(5'R,10'R,13'S)-13'-methyl-1',2',6',7',8',12',13',14',15',16'-decahydro-17'H-spiro[1,3-dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-one

: 84371-57-3
(5'R,8'S,10'R,13'S,14'S,17'S)-13'-methyl-17'-(prop-1-yn-1-yl)-1',2',7',8',12',13',14',15',16',17'-decahydro-4'H,6'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol

Conditions

Conditions	Yield
Stage #1: 1-propynylmagnesium bromide; (5'R,10'R,13'S)-13'-methyl-1',2',6',7',8',12',13',14',15',16'-decahydro-17'H-spiro[1,3-dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-one In tetrahydrofuran at 0℃; for 2h; Stage #2: With ammonium chloride In water	100%

: 84371-69-7
(8S,13S,14S,17S)-13-methyl-17-(prop-1-yn-1-yl)-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol

: 84371-57-3
(5'R,8'S,10'R,13'S,14'S,17'S)-13'-methyl-17'-(prop-1-yn-1-yl)-1',2',7',8',12',13',14',15',16',17'-decahydro-4'H,6'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane	35%
With disodium hydrogenphosphate; dihydrogen peroxide; Hexafluoroacetone In dichloromethane; water at 0 - 20℃; for 2.16667h;	1.8 g

: 639520-94-8
(5'R,10'R,13'S,16'R)-13',16'-dimethyl-1',2',6',7',8',12',13',14',15'-nonahydro-17'H-spiro[1,3-dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-one

: 16466-97-0, 13254-27-8
1-propynylmagnesium bromide

: 84371-57-3
(5'R,8'S,10'R,13'S,14'S,17'S)-13'-methyl-17'-(prop-1-yn-1-yl)-1',2',7',8',12',13',14',15',16',17'-decahydro-4'H,6'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol

Conditions

Conditions	Yield
Stage #1: (5'R,10'R,13'S,16'R)-13',16'-dimethyl-1',2',6',7',8',12',13',14',15'-nonahydro-17'H-spiro[1,3-dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-one; 1-propynylmagnesium bromide In tetrahydrofuran at 0℃; for 2.5h; Stage #2: With ammonium chloride In tetrahydrofuran; water	29%

: 4529-04-8
1-propynyl lithium

: 39931-88-9, 116003-08-8, 39931-87-8
(5'R,10'R,13'S)-13'-methyl-1',2',6',7',8',12',13',14',15',16'-decahydro-17'H-spiro[1,3-dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-one

: 84371-57-3
(5'R,8'S,10'R,13'S,14'S,17'S)-13'-methyl-17'-(prop-1-yn-1-yl)-1',2',7',8',12',13',14',15',16',17'-decahydro-4'H,6'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol

Conditions

Conditions	Yield
In tetrahydrofuran; hexane for 1h; Yield given;

: 5571-36-8
ethylene deltenone

: 84371-57-3
(5'R,8'S,10'R,13'S,14'S,17'S)-13'-methyl-17'-(prop-1-yn-1-yl)-1',2',7',8',12',13',14',15',16',17'-decahydro-4'H,6'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 85 percent / tetrahydrofuran 2: 35 percent / m-CPBA / CH2Cl2 View Scheme
Multi-step reaction with 2 steps 1: 76.1 percent / 30percent H2O2, hexachloroacetone / CH2Cl2 / 72 h 2: tetrahydrofuran; hexane / 1 h View Scheme
Multi-step reaction with 2 steps 1: tetrahydrofuran / 0 - 20 °C 2: Hexafluoroacetone; disodium hydrogenphosphate; dihydrogen peroxide / dichloromethane; water / 2.17 h / 0 - 20 °C View Scheme
Multi-step reaction with 2 steps 1: tetrahydrofuran / 0 - 25 °C / Inert atmosphere 2: Hexafluoroacetone; dihydrogen peroxide / 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran; aq. phosphate buffer / 2.17 h / 0 - 20 °C / Inert atmosphere View Scheme

: 84371-69-7
(8S,13S,14S,17S)-13-methyl-17-(prop-1-yn-1-yl)-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol

A: 5β,10β-epoxy-3,3-ethylenedioxy-17β-hydroxy-17α-(1-propynyl)estra-9(11)-ene

B: 84371-57-3
(5'R,8'S,10'R,13'S,14'S,17'S)-13'-methyl-17'-(prop-1-yn-1-yl)-1',2',7',8',12',13',14',15',16',17'-decahydro-4'H,6'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol

Conditions

Conditions	Yield
With pyridine; 1,1,1,3,3,3-hexachloro-propan-2-one; Br(1-)*C26H29N2O(1+); dihydrogen peroxide In dichloromethane; water at 20℃; for 48h; optical yield given as %de; diastereoselective reaction;
With dihydrogen peroxide; Hexafluoroacetone In aq. phosphate buffer; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran at 0 - 20℃; for 2.16667h; Inert atmosphere;	A n/a B n/a

: 61684-98-8
4-(N-isopropyl-N-methylamino)phenyl bromide

: 84371-57-3
(5'R,8'S,10'R,13'S,14'S,17'S)-13'-methyl-17'-(prop-1-yn-1-yl)-1',2',7',8',12',13',14',15',16',17'-decahydro-4'H,6'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol

: 883565-88-6
5α-17β-dihydroxy-11β-[4-(N-isopropyl-N-methylamino)phenyl]-17α-ethynyl-3,3-(ethane-1,2-diyldioxy)-estra-9-ene

Conditions

Conditions	Yield
Stage #1: 4-(N-isopropyl-N-methylamino)phenyl bromide With magnesium In tetrahydrofuran for 0.416667h; Heating; Stage #2: (5'R,8'S,10'R,13'S,14'S,17'S)-13'-methyl-17'-(prop-1-yn-1-yl)-1',2',7',8',12',13',14',15',16',17'-decahydro-4'H,6'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol With copper(l) chloride In tetrahydrofuran at 6 - 7℃; for 0.5h;	100%

: 84371-57-3
(5'R,8'S,10'R,13'S,14'S,17'S)-13'-methyl-17'-(prop-1-yn-1-yl)-1',2',7',8',12',13',14',15',16',17'-decahydro-4'H,6'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol

: 639520-70-0
4-(N-tert-butyloxycarbonyl-N-methylamino)phenyl bromide

: 639520-75-5
tert-butyl 4-((5R,11R,13S,17S)-5,17-dihydroxy-13-methyl-17-prop-1-ynyl-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11-yl)phenyl(methyl)carbamate

Conditions

Yield

Stage #1: 4-(N-tert-butyloxycarbonyl-N-methylamino)phenyl bromide With iodine; magnesium In tetrahydrofuran at 20℃; for 0.416667h; Heating / reflux;
Stage #2: With copper(l) iodide In tetrahydrofuran at 0℃; for 0.0333333h;
Stage #3: (5'R,8'S,10'R,13'S,14'S,17'S)-13'-methyl-17'-(prop-1-yn-1-yl)-1',2',7',8',12',13',14',15',16',17'-decahydro-4'H,6'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol With ammonium chloride more than 3 stages;

90%

: 883565-85-3
4-(N-isopropyl-N-trimethylsilylamino)phenyl bromide

: 84371-57-3
(5'R,8'S,10'R,13'S,14'S,17'S)-13'-methyl-17'-(prop-1-yn-1-yl)-1',2',7',8',12',13',14',15',16',17'-decahydro-4'H,6'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol

: 883565-86-4
5α-17β-dihydroxy-11β-[4-(N-isopropyl-N-trimethylsilylamino)phenyl]-17α-ethynyl-3,3-(ethane-1,2-diyldioxy)-estra-9-ene

Conditions

Conditions	Yield
Stage #1: 4-(N-isopropyl-N-trimethylsilylamino)phenyl bromide With magnesium In tetrahydrofuran for 0.416667h; Heating; Stage #2: (5'R,8'S,10'R,13'S,14'S,17'S)-13'-methyl-17'-(prop-1-yn-1-yl)-1',2',7',8',12',13',14',15',16',17'-decahydro-4'H,6'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol With copper(l) chloride In tetrahydrofuran at 6 - 7℃; for 0.5h;	75%

: 36637-44-2
(4-((tetrahydro-2H-pyran-2-yl)oxy)phenyl)magnesium bromide

: 84371-57-3
(5'R,8'S,10'R,13'S,14'S,17'S)-13'-methyl-17'-(prop-1-yn-1-yl)-1',2',7',8',12',13',14',15',16',17'-decahydro-4'H,6'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol

: 934415-53-9
C34H44O6

Conditions

Conditions	Yield
With copper(l) chloride In tetrahydrofuran	53%

Casno:
84371-57-3
(5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal
Min.Order: 1 Kilogram
FOB Price: USD $ 2.0-2.0
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Casno:
84371-57-3
11a,16b,17,21-Tetrahydroxy-pregna-1,4-diene-3,20-dione
Min.Order: 1 Kilogram
FOB Price: USD $ 0.0-0.0
1,we produce and sell good chemicals around the world. 2,our success rate is about 95%. this means, if customer order is accepted, the probability that the customer will obtain the ordered substances, is 95%. 3,our staff consists of highly qualified
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Casno:
84371-57-3
Estr-9(11)-en-3-one, 5,10-epoxy-17-hydroxy-17-(1-propynyl)-, cyclic 1,2-ethanediyl acetal, (5a,10a,17b)-
Min.Order: 1 Metric Ton
FOB Price: USD $ 1.0-1.0
We are a Union of chemistry in China, consists of chemists，engineers, laboratories,factories in China. We organize surplus capacity of R&D and production as well as custom synthesis for chemical products and chemical business project. We are supp
We are a Union of chemistry in China, consists of chemists，engineers, laboratories,factories in China. We organize surplus capacity of R&D and production in China for chemicals cus
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Casno:
84371-57-3
(5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal
Min.Order: 0
FOB Price: USD $ 0.0-0.0
We are committed to providing our customers with the best products and services at the most competitive prices.Appearance:off-white powder Storage:Room temperature with sealed well Package:according to the clients requirement Application:Use as prima
BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-info
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Casno:
84371-57-3
Estr-9(11)-en-3-one, 5,10-epoxy-17-hydroxy-17-(1-propynyl)-, cyclic 1,2-ethanediyl acetal, (5a,10a,17b)-
Min.Order: 0
FOB Price: USD $ 0.0-0.0
Our own factory produces direct sales with absolute price advantage Application:Pharmaceutical industry Transportation:By sea Port:Shanghai/tianjin
Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and
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Casno:
84371-57-3
(5a,10a,17b)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal
Min.Order: 0
FOB Price: USD $ 0.0-0.0
FINETECH INDUSTRY LIMITED is a LONDON based CRO company providing drug discovery & development services to worldwide clients. FINETECH INDUSTRY LIMITED supplies the (5a,10a,17b)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-
Finetech Industry Limited is a company in England,which specializing in developing, manufacturing and marketing fine organic compounds and intermediates for the fine chemical and p
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Casno:
84371-57-3
(5R,8S,10R,13S,14S,17S)-13-methyl-17-(prop-1-yn-1-yl)-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[5,10-epoxycyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol
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high purity Application:Drug intermediates Materials intermediates and active molecules
Novachemistry offers a broad range of specialty chemicals and customized synthesis services to a range of pharmaceutical, agrochemical and biochemical industries. Novachemistry has
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84371-57-3

84371-57-3

84371-57-3

84371-57-3

84371-57-3

84371-57-3

84371-57-3

84371-57-3