Androstanolone 17-benzoate supplier

Name
Androstanolone 17-benzoate
EINECS 213-891-8
CAS No. 1057-07-4
Article Data8
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point 155 °C
Formula C₂₆H₃₄O₃
Boiling Point 505.6 °C at 760 mmHg
Molecular Weight 394.554
Flash Point 216.7 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 63
Molecular Structure
Hazard Symbols Xn
Synonyms 5a-Androstan-3-one, 17b-hydroxy-, benzoate(6CI,7CI,8CI);5a-Dihydrotestosteronebenzoate;Androstanolone benzoate;Dihydrotestosterone benzoate;Ermalone;Hermalone;NSC 69549;Sarcosan;
PSA 43.37000
LogP 5.82380

Synthetic route

: 521-18-6
Stanolone

: 98-88-4
benzoyl chloride

: 1057-07-4
stanolone benzoate

Conditions

Conditions	Yield
In pyridine at 60℃; for 2h;	96%

: 6242-26-8
3β-Hydroxy-17β-benzoyloxy-5α-androstan

: 1057-07-4
stanolone benzoate

Conditions

Conditions	Yield
With 4-Benzoylpyridine In acetone at 20℃; for 46h; UV-irradiation; Inert atmosphere;	76%

17β-benzoyloxy-5α-androstanol-(3α): 17β-benzoyloxy-5α-androstanol-(3α)

: 1057-07-4
stanolone benzoate

Conditions

Conditions	Yield
With chromic acid; acetic acid

: C10H9FeCONHNH3(1+)*Cl(1-)={C10H9FeCONHNH3}Cl

: 1057-07-4
stanolone benzoate

: C10H9FeC27H35N2O3

Conditions

Conditions	Yield
In ethanol; acetic acid boiling;	84%
In ethanol; acetic acid

: ferrocenylcarbonylhydrazine

: 1057-07-4
stanolone benzoate

: C10H9FeC27H35N2O3

Conditions

Conditions	Yield
In ethanol; acetic acid boiling;	84%
In ethanol; acetic acid

: 120-72-9
indole

: 1057-07-4
stanolone benzoate

: 74252-30-5
2-(indol-3-yl)dihydrotestosterone benzoate

Conditions

Conditions	Yield
With perchloric acid In N,N-dimethyl-formamide for 3h; Heating;	72%

: 1057-07-4
stanolone benzoate

A: 26128-31-4
5α-hydroxy-3-oxo-5α-androstan-17β-yl benzoate

B: 6α-hydroxy-3-oxo-5α-androstan-17β-yl benzoate

Conditions

Conditions	Yield
With iodosylbenzene; 5,10,15,20-tetrakis-5-(2,2'-bi-Py)porphyrin Mn(III) chloride; copper(II) bis(trifluoromethanesulfonate) In water; acetonitrile at 20℃; for 16h;	A 36% B 45%

: 1057-07-4
stanolone benzoate

: 91-56-5
indole-2,3-dione

: Benzoic acid (5S,8R,9S,10S,13S,14S,17S)-2-(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-10,13-dimethyl-3-oxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl ester

Conditions

Conditions	Yield
With diethylamine In ethanol Heating;	30%

: 13050-38-9
benzilic hydrazide

: 1057-07-4
stanolone benzoate

: benzilic acid-(17β-benzoyloxy-5α-androstan-3-ylidenehydrazide)

Conditions

Conditions	Yield
With methanol; acetic acid

: 1057-07-4
stanolone benzoate

: 75-16-1
methylmagnesium bromide

A: 2233-69-4
3β-methyl-5α-androstane-3α,17β-diol

B: 2066-31-1
3α-methyl-5α-androstane-3β,17β-diol

Conditions

Conditions	Yield
With diethyl ether

...Expand

: 1057-07-4
stanolone benzoate

: 2.2-dibromo-17β-benzoyloxy-5α-androstanone-(3)

Conditions

Conditions	Yield
With hydrogen bromide; bromine; acetic acid

: 26559-63-7
Diethyl-2-(dimethylamino)-ethoxycarbonylmethylphosponat

: 1057-07-4
stanolone benzoate

: Benzoic acid (5S,8R,9S,10S,13S,14S,17S)-3-[1-(2-dimethylamino-ethoxycarbonyl)-meth-(E)-ylidene]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl ester

Conditions

Conditions	Yield
(i) NaH, 1,2-dimethoxy-ethane, (ii) /BRN= 3122672/; Multistep reaction;

: 20061-84-1
diethyl 2-(cyclohexylimino)ethylphosphonate

: 1057-07-4
stanolone benzoate

: 19897-11-1
seq.trans-3-Formylmethylen-17β-benzoyloxy-5α-androstan

Conditions

Conditions	Yield
(i) NaH, (ii) aq. oxalic acid; Multistep reaction;

: 1057-07-4
stanolone benzoate

: 6242-26-8
3β-Hydroxy-17β-benzoyloxy-5α-androstan

Conditions

Conditions	Yield
With sodium tetrahydroborate; boron trifluoride diethyl etherate

: 1057-07-4
stanolone benzoate

: 17356-08-0
thiourea

: 68432-14-4
17β-benzoyloxy-(2ξ,3ξ,5α)-2,3-dihydro-androstano[2,3-d]isoxazol-3'-ylamine

Conditions

Conditions	Yield
With 2-Methylnaphthalene

: 1057-07-4
stanolone benzoate

: 57-13-6
urea

: 68432-14-4
17β-benzoyloxy-(2ξ,3ξ,5α)-2,3-dihydro-androstano[2,3-d]isoxazol-3'-ylamine

Conditions

Conditions	Yield
With 2-Methylnaphthalene

: 1057-07-4
stanolone benzoate

: Benzoic acid (5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-hexadecahydro-spiro[cyclopenta[a]phenanthrene-3,3'-diaziridin]-17-yl ester

Conditions

Conditions	Yield
With tert-butylhypochlorite; ammonia In dichloromethane at 20℃; for 48h;

: 1057-07-4
stanolone benzoate

: 96192-10-8
2α-Brom-17β-benzoyloxy-5α-androstanon-(3)

Conditions

Conditions	Yield
With pyridinium hydrobromide perbromide In tetrahydrofuran
With bromine In acetic acid for 3h; Ambient temperature;	5.1 g

: 1057-07-4
stanolone benzoate

: 17444-85-8
17β-Benzoyloxy-3-chlor-Δ2-α-androsten

Conditions

Conditions	Yield
With phosphorus pentachloride In tetrachloromethane

: 1057-07-4
stanolone benzoate

: 75-16-1
methylmagnesium bromide

: 108-24-7
acetic anhydride

A: 2611-37-2
17β-acetoxy-3-methyl-5α-androstan-3α-ol

B: 2066-32-2
17β-acetoxy-3-methyl-5α-androstan-3β-ol

Conditions

Conditions	Yield
(i) Et2O, (ii) /BRN= 385737/, Py; Multistep reaction;

...Expand

: 67-56-1
methanol

: 1057-07-4
stanolone benzoate

: 17β-Benzoyloxy-3,3-dimethoxy-5α-androstan

: 1057-07-4
stanolone benzoate

: 1971-67-1
5α-androst-1-en-3-one-17β-yl benzoate

Conditions

Conditions	Yield
(i) Br2, aq. HBr, AcOH, (ii) LiBr, Li2CO3; Multistep reaction;
Multi-step reaction with 2 steps 1: 5.1 g / Br2 / acetic acid / 3 h / Ambient temperature 2: CaCO3 / N,N-dimethyl-acetamide / 0.33 h / Heating View Scheme

: 1057-07-4
stanolone benzoate

: 10035-10-6, 12258-64-9
hydrogen bromide

: 7726-95-6
bromine

: 64-19-7
acetic acid

: 115385-19-8
17β-benzoyloxy-2α,4α-dibromo-5α-androstan-3-one

Conditions

Conditions	Yield
20-std. Aufbewahren des Reaktionsgemisches;

...Expand

: 1057-07-4
stanolone benzoate

: 10035-10-6, 12258-64-9
hydrogen bromide

: 7726-95-6
bromine

: 64-19-7
acetic acid

: 2.2-dibromo-17β-benzoyloxy-5α-androstanone-(3)

...Expand

: 1057-07-4
stanolone benzoate

: 65-06-5
1-testosterone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 5.1 g / Br2 / acetic acid / 3 h / Ambient temperature 2: CaCO3 / N,N-dimethyl-acetamide / 0.33 h / Heating 3: 82.6 percent / 5percent methanolic NaOH / 2 h / Heating View Scheme

: 1057-07-4
stanolone benzoate

: 19418-63-4
1β,17β-dihydroxyandrost-4-en-3-one

Conditions

Conditions	Yield
Multi-step reaction with 9 steps 1: 5.1 g / Br2 / acetic acid / 3 h / Ambient temperature 2: CaCO3 / N,N-dimethyl-acetamide / 0.33 h / Heating 3: 82.6 percent / 5percent methanolic NaOH / 2 h / Heating 4: 69.9 percent / Mo(CO)6, t-butylhydroperoxide / CH2Cl2 / Heating 5: 69.9 percent / SeO2, CH3COOH / 2-methyl-propan-2-ol / 24 h / Heating 6: 67.5 percent / imidazole / dimethylformamide / 24 h / Ambient temperature 7: 76 percent / LiAlH4 / tetrahydrofuran / 3.5 h / Ambient temperature 8: 97 percent / MnO2 / CHCl3 / 21 h 9: 56 percent / 30percent aq. HF / acetonitrile / 1.5 h View Scheme

Yield

Multi-step reaction with 9 steps
1: 5.1 g / Br2 / acetic acid / 3 h / Ambient temperature
2: CaCO3 / N,N-dimethyl-acetamide / 0.33 h / Heating
3: 82.6 percent / 5percent methanolic NaOH / 2 h / Heating
4: 69.9 percent / Mo(CO)6, t-butylhydroperoxide / CH2Cl2 / Heating
5: 69.9 percent / SeO2, CH3COOH / 2-methyl-propan-2-ol / 24 h / Heating
6: 67.5 percent / imidazole / dimethylformamide / 24 h / Ambient temperature
7: 76 percent / LiAlH4 / tetrahydrofuran / 3.5 h / Ambient temperature
8: 97 percent / MnO2 / CHCl3 / 21 h
9: 56 percent / 30percent aq. HF / acetonitrile / 1.5 h
View Scheme

: 1057-07-4
stanolone benzoate

: 135415-79-1
5α-androst-1β,2β-epoxude-3-on-17β-ol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 5.1 g / Br2 / acetic acid / 3 h / Ambient temperature 2: CaCO3 / N,N-dimethyl-acetamide / 0.33 h / Heating 3: 82.6 percent / 5percent methanolic NaOH / 2 h / Heating 4: 69.9 percent / Mo(CO)6, t-butylhydroperoxide / CH2Cl2 / Heating View Scheme

: 1057-07-4
stanolone benzoate

: 112192-79-7
androst-4-en-1β,2β-epoxide-3-on-17β-ol

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 5.1 g / Br2 / acetic acid / 3 h / Ambient temperature 2: CaCO3 / N,N-dimethyl-acetamide / 0.33 h / Heating 3: 82.6 percent / 5percent methanolic NaOH / 2 h / Heating 4: 69.9 percent / Mo(CO)6, t-butylhydroperoxide / CH2Cl2 / Heating 5: 69.9 percent / SeO2, CH3COOH / 2-methyl-propan-2-ol / 24 h / Heating View Scheme

: 1057-07-4
stanolone benzoate

: 135359-58-9
androst-4-en-1β,3-diol-17β-silyl ether

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: 5.1 g / Br2 / acetic acid / 3 h / Ambient temperature 2: CaCO3 / N,N-dimethyl-acetamide / 0.33 h / Heating 3: 82.6 percent / 5percent methanolic NaOH / 2 h / Heating 4: 69.9 percent / Mo(CO)6, t-butylhydroperoxide / CH2Cl2 / Heating 5: 69.9 percent / SeO2, CH3COOH / 2-methyl-propan-2-ol / 24 h / Heating 6: 67.5 percent / imidazole / dimethylformamide / 24 h / Ambient temperature 7: 76 percent / LiAlH4 / tetrahydrofuran / 3.5 h / Ambient temperature View Scheme

Yield

Multi-step reaction with 7 steps
1: 5.1 g / Br2 / acetic acid / 3 h / Ambient temperature
2: CaCO3 / N,N-dimethyl-acetamide / 0.33 h / Heating
3: 82.6 percent / 5percent methanolic NaOH / 2 h / Heating
4: 69.9 percent / Mo(CO)6, t-butylhydroperoxide / CH2Cl2 / Heating
5: 69.9 percent / SeO2, CH3COOH / 2-methyl-propan-2-ol / 24 h / Heating
6: 67.5 percent / imidazole / dimethylformamide / 24 h / Ambient temperature
7: 76 percent / LiAlH4 / tetrahydrofuran / 3.5 h / Ambient temperature
View Scheme

Androstanolone 17-benzoate Specification

The cas register number of Androstanolone 17-benzoate is 1057-07-4. It also can be called as 5a-Androstan-17b-ol-3-one benzoate and the IUPAC Name about this chemical is [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] benzoate. It belongs to the Steroids.

Physical properties about Androstanolone 17-benzoate are: (1)ACD/LogP: 6.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.67; (4)ACD/LogD (pH 7.4): 6.67; (5)ACD/BCF (pH 5.5): 68566.73; (6)ACD/BCF (pH 7.4): 68566.73; (7)ACD/KOC (pH 5.5): 100755.93; (8)ACD/KOC (pH 7.4): 100755.93; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 43.37 Å²; (12)Index of Refraction: 1.569; (13)Molar Refractivity: 113.07 cm³; (14)Molar Volume: 345.1 cm³; (15)Polarizability: 44.82x10^-24cm³; (16)Surface Tension: 46.2 dyne/cm; (17)Enthalpy of Vaporization: 77.53 kJ/mol; (18)Vapour Pressure: 2.4E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical has possible risk of harm to the unborn child. When you are using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C5C[C@@H]4CC[C@@H]3[C@H](CC[C@]2(C)[C@@H](OC(=O)c1ccccc1)CC[C@H]23)[C@@]4(C)CC5
(2)InChI: InChI=1/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,18,20-23H,8-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1
(3)InChIKey: ZGDZDAPCWHIIKB-LVYWIKMTBA
(4)Std. InChI: InChI=1S/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,18,20-23H,8-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1
(5)Std. InChIKey: ZGDZDAPCWHIIKB-LVYWIKMTSA-N

Product Name

Androstanolone 17-benzoate

Synthetic route

Androstanolone 17-benzoate Specification

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