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1045-69-8

Basic Information
CAS No.: 1045-69-8
Name: Androst-4-en-3-one,17-(acetyloxy)-, (17b)-
Molecular Structure:
Molecular Structure of 1045-69-8 (Androst-4-en-3-one,17-(acetyloxy)-, (17b)-)
Formula: C21H30O3
Molecular Weight: 330.47
Synonyms: Androst-4-en-17b-ol-3-one acetate;Androtest A;Deposteron;Farmatest;NSC 523836;Perandrone A;SKF 5647;Testosterone17-acetate;Testosterone,acetate (6CI,8CI);17-O-Acetyltestosterone;17b-Acetoxy-4-androsten-3-one;17b-Acetoxy-D4-androsten-3-one;17b-Acetoxyandrost-4-ene-3-one;17b-Acetoxytestosterone;17b-Hydroxyandrost-4-en-3-oneacetate;17b-Hydroxyandrost-4-en-3-one-17b-acetate;3-Oxoandrost-4-en-17b-yl acetate;4-Androsten-17b-ol-3-one 17-acetate;Aceto-sterandryl;Aceto-testoviron;Amolisin;
EINECS: 213-876-6
Density: 1.12 g/cm3
Melting Point: 139-141 °C
Boiling Point: 441.803 °C at 760 mmHg
Flash Point: 191.472 °C
Solubility: 2.35mg/L(25 oC)
Appearance: white to off-white crystalline powder
Hazard Symbols: ToxicT
Risk Codes: 45-22-63
Safety: 53-22-26-36
Transport Information: UN 2811 6.1/PG 2
PSA: 43.37000
LogP: 4.45000
Synthetic route
58-22-0

testosterone

108-24-7

acetic anhydride

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With pyridine; dmap at 20℃; for 24h; Inert atmosphere;100%
With pyridine at 0 - 20℃;99%
With copper(II) bis(trifluoromethanesulfonate) In dichloromethane at 20℃; for 3h;92%
58-22-0

testosterone

75-36-5

acetyl chloride

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With potassium fluoride on basic alumina In toluene for 2.5h;98%
With pyridine; acetic anhydride for 4h; Reflux;96%
With immobilized p-toluenesulfonic acid polymer bound macroporous In neat (no solvent) at 100℃; for 0.0416667h; Microwave irradiation; Sealed tube; Green chemistry;33%
With pyridine; acetic anhydride for 4h; Reflux;
2352-19-4

androsta-4,6-dien-17β-ol-3-one acetate

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With palladium 10% on activated carbon; ammonium formate In ethanol at 75 - 77℃; for 9.5h; Inert atmosphere;97.6%

17β-Acetoxytestosterone tosylhydrazone

A

1045-69-8

testosterone acetate

B

17β-Acetoxy-4α,5-epoxyandrostan-3-one

Conditions
ConditionsYield
With 3,3-dimethyldioxirane In acetone at 20℃; for 1h; Yields of byproduct given;A 95%
B n/a
2944-75-4

17β-acetoxy-4,5-epoxy-5β-androstan-3-one

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With Amberlyst 15; sodium iodide In acetone at 20℃; for 6h; deoxygenation;95%
58-22-0

testosterone

64-19-7

acetic acid

1045-69-8

testosterone acetate

Conditions
ConditionsYield
Stage #1: acetic acid With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In chloroform at 20℃; for 0.5h; Inert atmosphere;
Stage #2: testosterone With dmap In chloroform for 18h; Inert atmosphere; Reflux;
95%
58-22-0

testosterone

141-78-6

ethyl acetate

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With C12F18O13Zn4 for 40h; Reflux; Inert atmosphere;93%
6157-79-5

17β-acetoxyandrost-4-ene

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With tert.-butylhydroperoxide; cobalt(II) acetate In decane; acetonitrile at 55℃; for 3h;70%
108-24-7

acetic anhydride

57711-43-0

17β-<(t-butyldimethylsilyl)oxy>androst-4-en-3-one

1045-69-8

testosterone acetate

Conditions
ConditionsYield
copper(II) bis(trifluoromethanesulfonate) In dichloromethane at 20℃; for 24h;67%
105360-48-3

Acetic acid (2S,8R,9S,10R,13S,14S,17S)-4-bromo-10,13-dimethyl-2-morpholin-4-yl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester

A

1045-69-8

testosterone acetate

B

21002-81-3

17β-acetoxy-4-bromo-4-androsten-3-one

Conditions
ConditionsYield
With zinc In acetic acid at 25℃; for 15h;A 30%
B 64%
58-22-0

testosterone

64-19-7

acetic acid

A

2943-42-2

di(4-methyl)phenylthiosulfonate

B

1045-69-8

testosterone acetate

C

81917-15-9

(9S,10R,13S,14S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl 4-methylbenzenesulfinate

Conditions
ConditionsYield
With p-toluene sulfinic acid In dichloromethane for 24h; Ambient temperature;A 20 mg
B 60%
C 10 mg
/PBOND001-1390/

/PBOND001-1390/

A

1045-69-8

testosterone acetate

B

98735-19-4

17β-acetoxy-4,5-secoandrostane-3,5-dione

Conditions
ConditionsYield
With zinc In acetic acid for 12h; Heating; Yields of byproduct given;A 44%
B n/a
With zinc In acetic acid for 12h; Heating; Yield given;A 44%
B n/a
2363-59-9

17β-acetoxy-androsta-1,4-dien-3-one

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With thallium(III) nitrate trihydrate In diethylene glycol dimethyl ether for 24h; Ambient temperature;34%
52091-98-2

17β-acetoxy-3-ethoxy-androsta-3,5-diene

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With hydrogenchloride; acetone
With hydrogenchloride; acetone
111294-86-1

17β-acetoxy-3β-formyloxy-androst-5-ene

1045-69-8

testosterone acetate

17β-acetoxy-3β-cyclohex-1-enyloxy-androst-5-ene

1045-69-8

testosterone acetate

97922-54-8

3β.3'β-dihydroxy-17β.17β'-diacetoxy-[3.3']bi[androsten-(4)-yl]

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With chloroform; bromine Behandeln des Reaktionsprodukts mit CrO3 in wasserhaltiger Essigsaeure und Aether und Schuetteln des danach erhaltenen Reaktionsprodukts mit Zink-Pulver und wss.Essigsaeure;
911651-92-8

17-chloroandrost-4-en-3-one

127-08-2

potassium acetate

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With acetic acid at 180℃;
5937-72-4

androstenediol-17-acetate

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With aluminum tri-tert-butoxide; acetone; toluene
With bromine; acetic acid nachfolgendes Erwaermen mit CrO3 in Essigsaeure und Erwaermen des Reaktionsprodukts mit Zink-Pulver und Essigsaeure;
With bromine; acetic acid nachfolgendes Erwaermen mit CrO3 in Essigsaeure und Erwaermen des Reaktionsprodukts mit NaI in Aethanol;
58-22-0

testosterone

108-24-7

acetic anhydride

108-88-3

toluene

1045-69-8

testosterone acetate

911651-92-8

17-chloroandrost-4-en-3-one

127-08-2

potassium acetate

64-19-7

acetic acid

1045-69-8

testosterone acetate

Conditions
ConditionsYield
at 150 - 180℃;
5937-72-4

androstenediol-17-acetate

556-91-2

aluminum tri-tert-butoxide

67-64-1

acetone

108-88-3

toluene

1045-69-8

testosterone acetate

5937-72-4

androstenediol-17-acetate

556-91-2

aluminum tri-tert-butoxide

67-64-1

acetone

71-43-2

benzene

1045-69-8

testosterone acetate

57-83-0

Progesterone

A

68-96-2

17-hydroxyprogesterone

B

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With potassium phosphate; 1,2-dilauroylphosphatidylcholine; NADPH; magnesium chloride Mechanism; microsomes from pig tests, CYP-17, cytochrome P450 reductase;
1458-92-0

17β-acetoxy-4-oxa-androst-5-en-3-one

64-19-7

acetic acid

756-79-6

dimethyl methane phosphonate

A

58-22-0

testosterone

B

1045-69-8

testosterone acetate

Conditions
ConditionsYield
Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;
1458-92-0

17β-acetoxy-4-oxa-androst-5-en-3-one

756-79-6

dimethyl methane phosphonate

A

58-22-0

testosterone

B

1045-69-8

testosterone acetate

Conditions
ConditionsYield
Yield given. Multistep reaction. Yields of byproduct given;
57-83-0

Progesterone

A

1045-69-8

testosterone acetate

B

600-48-6

6β,11α-dihydroxyprogesterone

C

604-03-5

12β,17α-dihydroxyprogesterone

D

6β,11α,20(R)-trihydroxypregna-4-en-3-one

Conditions
ConditionsYield
With Cephalosporium aphidicola In ethanol for 168h;A 33 mg
B 1.1 g
C 39 mg
D 41 mg
57-83-0

Progesterone

A

58-22-0

testosterone

B

1162-54-5

pregna-1,4-diene-3,20-dione

C

63-05-8

Androstenedione

D

1045-69-8

testosterone acetate

E

80-75-1

11-alpha-hydroxyprogesterone

F

846-48-0

1-dehydrotestosterone

Conditions
ConditionsYield
With immobilized spores of Aspergillus ochraceus; Tris-maleate buffer at 30℃; for 48h; Product distribution; Mechanism; various water activity of the biocatalysts;
209853-71-4

17β-acetoxy-3α,4α-epoxy-5α-hydroxyandrostane

A

1045-69-8

testosterone acetate

B

798-35-6

17β-acetoxy-4-methylestra-1,3,5(10)-triene

C

65-01-0

17β-acetyloxy-5α-androst-2-en-4-one

Conditions
ConditionsYield
With hydrogen bromide; acetic acid for 0.25h; Rearrangement; Heating;A 15 mg
B 29 mg
C 10 mg
1045-69-8

testosterone acetate

6157-79-5

17β-acetoxyandrost-4-ene

Conditions
ConditionsYield
With sodium tetrahydroborate; acetic acid; trifluoroacetic acid In dichloromethane; acetonitrile at 20℃; for 3.5h; Inert atmosphere;99%
With sodium tetrahydroborate; acetic acid; trifluoroacetic acid In dichloromethane; acetonitrile at 0℃; for 10h;80%
(i) EtSH, HCl, Et2O, (ii) Raney-Ni, dioxane; Multistep reaction;
With sodium tetrahydroborate; acetic acid; trifluoroacetic acid In dichloromethane; acetonitrile for 1h; Ambient temperature;2.2 g
1045-69-8

testosterone acetate

16992-89-5, 17320-63-7, 95119-10-1, 13903-65-6

(3β,17β)-3-hydroxyandrost-4-en-17-yl acetate

Conditions
ConditionsYield
With methanol; sodium tetrahydroborate In tetrahydrofuran at 0℃;97.3%
With sodium tetrahydroborate In methanol at 0℃; for 2h;74%
With sodium tetrahydroborate In methanol at 0℃; for 2h;
With lithium tri-(tert-butoxy)aluminum hydride In tetrahydrofuran for 3.5h; Inert atmosphere; Reflux;
1045-69-8

testosterone acetate

1164-92-7

17β-acetoxy-5β-androstan-3-one

Conditions
ConditionsYield
With hydrogen; palladium In pyridine for 16h;97%
Multi-step reaction with 2 steps
1: H2 / PtO2 / acetic acid / 1 h / Ambient temperature
2: Jones reagent / acetone / 0.08 h
View Scheme
1045-69-8

testosterone acetate

21002-81-3

17β-acetoxy-4-bromo-4-androsten-3-one

Conditions
ConditionsYield
Stage #1: testosterone acetate With 3,3-dimethyldioxirane In acetone at 20℃; for 8h; Epoxidation;
Stage #2: With Amberlyst 15; sodium bromide In acetone at 20℃; for 12h; Bromination;
97%
1045-69-8

testosterone acetate

58-22-0

testosterone

Conditions
ConditionsYield
With copper dichloride In methanol; water for 20h; Heating;95%
With bis(tri-n-butyltin)oxide In toluene at 110℃; for 27h;59%
With potassium hydroxide
123-75-1

pyrrolidine

1045-69-8

testosterone acetate

22234-09-9

3-(1-pyrrolidinyl)-17β-acetoxyandrosta-3,5-diene

Conditions
ConditionsYield
92%
In methanol Heating;84%
1045-69-8

testosterone acetate

855-19-6

clostebol acetate

Conditions
ConditionsYield
Stage #1: testosterone acetate With 3,3-dimethyldioxirane In acetone at 20℃; for 8h; Epoxidation;
Stage #2: With Amberlyst 15; sodium chloride In acetone at 20℃; for 12h; Chlorination;
89%
With pyridine; sulfuryl dichloride for 1h; Product distribution; Ambient temperature; other steroids;
With pyridine; sulfuryl dichloride for 1h; Ambient temperature;
Multi-step reaction with 2 steps
1: N-chloro-succinimide, HN3 / CHCl3; 2-methyl-propan-2-ol
2: SiO2 / benzene
View Scheme
Multi-step reaction with 2 steps
1: N-chloro-succinimide, HN3 / CHCl3; 2-methyl-propan-2-ol
2: SiO2 / benzene
View Scheme
1045-69-8

testosterone acetate

7430-16-2

3-((3S,3aS,5aS,6R,9aS,9bS)-3-acetoxy-3a,6-dimethyl-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid

Conditions
ConditionsYield
With potassium permanganate; sodium periodate; sodium carbonate In water; tert-butyl alcohol at 70℃; for 0.333333h; Inert atmosphere;88%
With potassium permanganate; potassium metaperiodate; potassium carbonate In water; tert-butyl alcohol for 2h;76%
With potassium permanganate; sodium periodate; sodium carbonate In water; isopropyl alcohol for 1h; Heating;
1045-69-8

testosterone acetate

2-phenylcinchoninoylhydrazide

74996-51-3

Acetic acid (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-[(2-phenyl-quinoline-5-carbonyl)-hydrazono]-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester

Conditions
ConditionsYield
With pyridine In ethanol for 40h; Heating;87%
54-85-3

isoniazid

1045-69-8

testosterone acetate

74996-50-2

Acetic acid (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-[(pyridine-4-carbonyl)-hydrazono]-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester

Conditions
ConditionsYield
With pyridine In ethanol for 25h; Heating;86%
1045-69-8

testosterone acetate

107-15-3

ethylenediamine

1104455-80-2

17β-acetoxy-4'-dehydro-androst-4-eno[3,4-e]piperazin-6-one

Conditions
ConditionsYield
With aluminum oxide at 120℃; microwave irradiation;85%
1045-69-8

testosterone acetate

manganese triacetate

manganese triacetate

95720-22-2

Δ4-Androsten-2,17-diol-3-on-diacetat

Conditions
ConditionsYield
In benzene at 80℃; for 25h;83%
1045-69-8

testosterone acetate

77579-59-0

Nα-<1,2-bis(p-methoxyphenyl)butyl>-α-aminoacetohydrazide

77579-64-7

Acetic acid (8R,9S,10R,13S,14S,17S)-3-({2-[1,2-bis-(4-methoxy-phenyl)-butylamino]-acetyl}-hydrazono)-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester

Conditions
ConditionsYield
With acetic acid In ethanol Heating;80%
1045-69-8

testosterone acetate

75-16-1

methylmagnesium bromide

17β-acetoxy-3β-hydroxy-3α-methylandrost-4-ene

Conditions
ConditionsYield
In tetrahydrofuran; diethyl ether Grignard reaction;76%
110-91-8

morpholine

1045-69-8

testosterone acetate

84736-46-9

3-morpholinoandrosta-2,5-dein-17β-yl acetate

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene for 16h; Heating;75%
67-56-1

methanol

1045-69-8

testosterone acetate

77579-50-1

A-nor-2α-methoxycarbonyl-3-androsten-17β-yl acetate

Conditions
ConditionsYield
With thallium(III) nitrate; trimethyl orthoformate for 0.5h;75%
1045-69-8

testosterone acetate

149-73-5

trimethyl orthoformate

77579-50-1

A-nor-2α-methoxycarbonyl-3-androsten-17β-yl acetate

Conditions
ConditionsYield
With thallium(III) nitrate In methanol at 0℃; for 0.5h;75%
1045-69-8

testosterone acetate

59285-18-6

17β-acetoxy-3-hydroximinoandrost-4-ene

Conditions
ConditionsYield
With pyridine; hydroxylamine hydrochloride for 6h; Reflux;74%
1045-69-8

testosterone acetate

571-25-5

17β-hydroxyandrost-5-en-3-one

Conditions
ConditionsYield
With potassium hydroxide; sodium hydrogencarbonate; acetic acid In 1,2-dimethoxyethane for 15h; Ambient temperature;70%
1045-69-8

testosterone acetate

5351-17-7

4-aminobenzohydrazide

74996-49-9

Acetic acid (8R,9S,10R,13S,14S,17S)-3-[(4-amino-benzoyl)-hydrazono]-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester

Conditions
ConditionsYield
With pyridine In ethanol for 25h; Heating;70%
1045-69-8

testosterone acetate

1164-91-6

stanolone acetate

Conditions
ConditionsYield
With potato dextrose broth medium In ethanol at 24 - 26℃; for 96h; Penicillium decumbens ATCC 10436;68%
Multi-step reaction with 2 steps
1: H2 / PtO2 / acetic acid / 1 h / Ambient temperature
2: Jones reagent / acetone / 0.08 h
View Scheme
1045-69-8

testosterone acetate

4594-27-8, 6726-17-6

17beta-Acetoxyandrost-4-ene-3,6-dione

Conditions
ConditionsYield
With tert.-butylhydroperoxide; Rh2(cap)4 In water at 40℃; for 16h; Product distribution / selectivity; Allylic oxidation;68%
With tert.-butylhydroperoxide; [Rh2(cap)4*2CH3CN] In water at 40℃; for 48h;68%
With tert.-butylhydroperoxide; Rh2(cap)4 In 1,2-dichloro-ethane at 40℃; for 16h; Product distribution / selectivity; Allylic oxidation;50%
With tert.-butylhydroperoxide; Clorox bleach
Multi-step reaction with 2 steps
1: TsOH / dioxane
2: (tBuO)2CrO2 / CCl4
View Scheme
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    1045-69-8

    Testosterone Acetate

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Specification

The Testosterone acetate is an organic compound with the formula C21H30O3. The IUPAC name of this chemical is  [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate. With the CAS registry number 1045-69-8, it is also named as (17β)-3-Oxoandrost-4-en-17-yl acetate. The product's category is Steroids.

Physical properties about Testosterone acetate are: (1)ACD/LogP: 4.14; (2)ACD/LogD (pH 5.5): 4.144; (3)ACD/LogD (pH 7.4): 4.144; (4)ACD/BCF (pH 5.5): 831.141; (5)ACD/BCF (pH 7.4): 831.141; (6)ACD/KOC (pH 5.5): 4280.594; (7)ACD/KOC (pH 7.4): 4280.594; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 43.37 Å2; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 92.697 cm3; (13)Molar Volume: 295.028 cm3; (14)Polarizability: 36.748×10-24cm3; (15)Surface Tension: 42.273 dyne/cm; (16)Density: 1.12 g/cm3; (17)Flash Point: 191.472 °C; (18)Enthalpy of Vaporization: 69.917 kJ/mol; (19)Boiling Point: 441.803 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and may cause cancer. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is Possible risk of harm to the unborn child. When you are using it, wear suitable protective clothing, do not breathe dust and avoid exposure - obtain special instructions before use.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
(2)InChI: InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1
(3)InChIKey: DJPZSBANTAQNFN-PXQJOHHUBX
(4)Std. InChI: InChI=1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1
(5)Std. InChIKey: DJPZSBANTAQNFN-PXQJOHHUSA-N