Product Name

  • Name

    Betamethasone 21-acetate

  • EINECS 213-578-6
  • CAS No. 987-24-6
  • Article Data7
  • CAS DataBase
  • Density 1.3 g/cm3
  • Solubility 30mg/L(25 oC)
  • Melting Point 200-220 °C (dec.)
  • Formula  C24H31FO6
  • Boiling Point 579.4 °C at 760 mmHg
  • Molecular Weight 434.505
  • Flash Point 304.2 °C
  • Transport Information
  • Appearance
  • Safety 22-36
  • Risk Codes 40
  • Molecular Structure Molecular Structure of 987-24-6 (Betamethasone 21-acetate)
  • Hazard Symbols HarmfulXn
  • Synonyms Pregna-1,4-diene-3,20-dione,9-fluoro-11b,17,21-trihydroxy-16b-methyl-, 21-acetate(6CI,7CI,8CI);21-Acetoxy-9a-fluoro-11b,17a-dihydroxy-16b-methylpregna-1,4-diene-3,20-dione;9-Fluoro-11b,17,21-trihydroxy-16b-methylpregna-1,4-diene-3,20-dione21-acetate;Betamethasone acetate;
  • PSA 100.90000
  • LogP 2.46650

Synthetic route

21-acetoxy-9,11β-epoxy-17-hydroxy-16β-methyl-9β-pregna-1,4-diene-3,20-dione
912-38-9, 2884-51-7, 14622-51-6, 98573-86-5

21-acetoxy-9,11β-epoxy-17-hydroxy-16β-methyl-9β-pregna-1,4-diene-3,20-dione

betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

Conditions
ConditionsYield
With tetrahydrofuran; chloroform; hydrogen fluoride
9β,11β-epoxy-17α,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-acetate

9β,11β-epoxy-17α,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-acetate

betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

Conditions
ConditionsYield
With hydrogen fluoride In chloroform
(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2,2-Diiodo-acetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one
37414-01-0

(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2,2-Diiodo-acetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one

potassium acetate
127-08-2

potassium acetate

betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

Conditions
ConditionsYield
With acetic acid In water; acetone for 3h; Heating;180 mg
16α,17α-epoxy-3β-hydroxy-5α-pregn-9(11)-en-20-one
884488-47-5

16α,17α-epoxy-3β-hydroxy-5α-pregn-9(11)-en-20-one

betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

Conditions
ConditionsYield
Multi-step reaction with 8 steps
1.1: 95 percent / pyridine / 20 °C
2.1: 70 percent / triethyl orthoformate; p-toluenesulfonic acid / CH2Cl2 / 20 h / 20 °C
3.1: 72 percent / tetrahydrofuran; diethyl ether / 72 h / 60 °C
4.1: m-iodoxybenzoic acid; diphenyl diselenide / toluene / 22 h / Heating
4.2: 50 percent / p-toluenesulfonic acid / CH2Cl2 / 4 h / 20 °C
5.1: perchloric acid; 1,3-dibromo-5,5-dimethylhydantoin / dimethylformamide / 3 h / cooling
5.2: 75.8 percent / sodium hydroxide / CH2Cl2; methanol; H2O / 2 h / cooling
6.1: 80 percent / hydrofluoric acid / tetrahydrofuran; CH2Cl2 / 5 h / -70 - 0 °C
7.1: 100 percent / anhydrous calcium chloride; calcium oxide; iodine / methanol / 1 h / 25 - 27 °C
8.1: 180 mg / acetic acid / acetone; H2O / 3 h / Heating
View Scheme
16β-methyl-9β,11β-epoxy-17α-hydroxy-1,4-pregnadiene-3,20-dione
37413-99-3

16β-methyl-9β,11β-epoxy-17α-hydroxy-1,4-pregnadiene-3,20-dione

betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 80 percent / hydrofluoric acid / tetrahydrofuran; CH2Cl2 / 5 h / -70 - 0 °C
2: 100 percent / anhydrous calcium chloride; calcium oxide; iodine / methanol / 1 h / 25 - 27 °C
3: 180 mg / acetic acid / acetone; H2O / 3 h / Heating
View Scheme
hecogenin acetate
915-35-5

hecogenin acetate

betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

Conditions
ConditionsYield
Multi-step reaction with 12 steps
1.1: 72 percent / m-iodoxybenzoic acid; diphenyl diselenide / toluene / 12 h / Heating
2.1: hydrazine hydrate / ethane-1,2-diol / 1 h / Heating
2.2: 95 percent / potassium hydroxide / ethane-1,2-diol; H2O / 5 h / 195 - 197 °C
3.1: pyridine; ammonium chloride / 125 - 135 °C
3.2: acetic acid; chromium trioxide / H2O; 1,2-dichloro-ethane / 1 h / 20 °C
3.3: 57 percent / aluminium oxide / benzene / 2 h
4.1: 91.7 percent / hydrogen peroxide; sodium hydroxide / methanol / 2 h / 20 °C
5.1: 95 percent / pyridine / 20 °C
6.1: 70 percent / triethyl orthoformate; p-toluenesulfonic acid / CH2Cl2 / 20 h / 20 °C
7.1: 72 percent / tetrahydrofuran; diethyl ether / 72 h / 60 °C
8.1: m-iodoxybenzoic acid; diphenyl diselenide / toluene / 22 h / Heating
8.2: 50 percent / p-toluenesulfonic acid / CH2Cl2 / 4 h / 20 °C
9.1: perchloric acid; 1,3-dibromo-5,5-dimethylhydantoin / dimethylformamide / 3 h / cooling
9.2: 75.8 percent / sodium hydroxide / CH2Cl2; methanol; H2O / 2 h / cooling
10.1: 80 percent / hydrofluoric acid / tetrahydrofuran; CH2Cl2 / 5 h / -70 - 0 °C
11.1: 100 percent / anhydrous calcium chloride; calcium oxide; iodine / methanol / 1 h / 25 - 27 °C
12.1: 180 mg / acetic acid / acetone; H2O / 3 h / Heating
View Scheme
17α,21-dihydroxy-16β-methyl-1,4,9(11)-pregnatriene-3,20-dione 21-acetate
910-99-6

17α,21-dihydroxy-16β-methyl-1,4,9(11)-pregnatriene-3,20-dione 21-acetate

betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hypobromous acid; sodium acetate
2: CHCl3; THF; HF
View Scheme
betamethasone
378-44-9

betamethasone

acetic anhydride
108-24-7

acetic anhydride

betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

Conditions
ConditionsYield
With sodium acetate In tetrahydrofuran; acetone at 40℃; for 3h; Inert atmosphere;
chloro-trimethyl-silane
75-77-4

chloro-trimethyl-silane

betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

(11β,16β)-9-fluoro-16-methyl-3,20-dioxo-11,17-bis[(trimethylsilyl)oxy]pregna-1,4-dien-21-yl acetate
733766-12-6

(11β,16β)-9-fluoro-16-methyl-3,20-dioxo-11,17-bis[(trimethylsilyl)oxy]pregna-1,4-dien-21-yl acetate

Conditions
ConditionsYield
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 16h;99%
betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

betamethasone
378-44-9

betamethasone

Conditions
ConditionsYield
With methanol; sodium methylate at 25℃; for 4h;90%
betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

benzoyl chloride
98-88-4

benzoyl chloride

9α-fluoro-3,11β,17α,21-tetrahydroxy-16β-methyl-1,3,5-pregnatriene-20-one 21-acetate 3-benzoate
59860-91-2

9α-fluoro-3,11β,17α,21-tetrahydroxy-16β-methyl-1,3,5-pregnatriene-20-one 21-acetate 3-benzoate

Conditions
ConditionsYield
In pyridine at 70℃; for 18h;71%
betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

9α-fluoro-6β,11β,17α,21-tetrahydroxy-16β-methyl-1,4-pregnadiene-3,20-dione 21-acetate
72559-76-3

9α-fluoro-6β,11β,17α,21-tetrahydroxy-16β-methyl-1,4-pregnadiene-3,20-dione 21-acetate

Conditions
ConditionsYield
With selenium(IV) oxide In 1,4-dioxane at 80℃; for 2.5h;22%
Multi-step reaction with 2 steps
1: 71 percent / pyridine / 18 h / 70 °C
2: 58 percent / m-chloroperbenzoic acid / CHCl3 / 1 h / Ambient temperature
View Scheme
betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione
72559-90-1

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 71 percent / pyridine / 18 h / 70 °C
2: 58 percent / m-chloroperbenzoic acid / CHCl3 / 1 h / Ambient temperature
3: 61 percent / pyridine/ CF3-COOH/ 1-cyclohexyl-3-(2-morpholinoethyl) carbodiimide metho-p-toluenesulfonate / dimethylsulfoxide; benzene / 16 h / Ambient temperature
4: 75 percent / Na2CO3 / methanol / 18 h / Ambient temperature
View Scheme
betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione 17-propionate
72560-06-6

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione 17-propionate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 71 percent / pyridine / 18 h / 70 °C
2: 58 percent / m-chloroperbenzoic acid / CHCl3 / 1 h / Ambient temperature
3: 61 percent / pyridine/ CF3-COOH/ 1-cyclohexyl-3-(2-morpholinoethyl) carbodiimide metho-p-toluenesulfonate / dimethylsulfoxide; benzene / 16 h / Ambient temperature
4: 75 percent / Na2CO3 / methanol / 18 h / Ambient temperature
5: 73 percent / 1.) p-toluenesulfonic acid monohydrate; 2.) 90percent CH3COOH aq. / Ambient temperature; 1.) DMSO, 4 h; 2.) 4 h
View Scheme
betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione 17-isobutyrate
72559-92-3

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione 17-isobutyrate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 71 percent / pyridine / 18 h / 70 °C
2: 58 percent / m-chloroperbenzoic acid / CHCl3 / 1 h / Ambient temperature
3: 61 percent / pyridine/ CF3-COOH/ 1-cyclohexyl-3-(2-morpholinoethyl) carbodiimide metho-p-toluenesulfonate / dimethylsulfoxide; benzene / 16 h / Ambient temperature
4: 75 percent / Na2CO3 / methanol / 18 h / Ambient temperature
5: 79 percent / 1.) p-toluenesulfonic acid monohydrate; 2.) 90percent CH3COOH aq. / Ambient temperature; 1.) DMSO, 4 h; 2.) 4 h
View Scheme
betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione 21-acetate
72559-84-3

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione 21-acetate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 71 percent / pyridine / 18 h / 70 °C
2: 58 percent / m-chloroperbenzoic acid / CHCl3 / 1 h / Ambient temperature
3: 61 percent / pyridine/ CF3-COOH/ 1-cyclohexyl-3-(2-morpholinoethyl) carbodiimide metho-p-toluenesulfonate / dimethylsulfoxide; benzene / 16 h / Ambient temperature
View Scheme
betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione 17-butyrate
82926-63-4

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione 17-butyrate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 71 percent / pyridine / 18 h / 70 °C
2: 58 percent / m-chloroperbenzoic acid / CHCl3 / 1 h / Ambient temperature
3: 61 percent / pyridine/ CF3-COOH/ 1-cyclohexyl-3-(2-morpholinoethyl) carbodiimide metho-p-toluenesulfonate / dimethylsulfoxide; benzene / 16 h / Ambient temperature
4: 75 percent / Na2CO3 / methanol / 18 h / Ambient temperature
5: 44 percent / 1.) p-toluenesulfonic acid monohydrate; 2.) 90percent CH3COOH aq. / Ambient temperature; 1.) DMSO, 4 h; 2.) 4 h
View Scheme
betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione 17-valerate
72560-03-3

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione 17-valerate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 71 percent / pyridine / 18 h / 70 °C
2: 58 percent / m-chloroperbenzoic acid / CHCl3 / 1 h / Ambient temperature
3: 61 percent / pyridine/ CF3-COOH/ 1-cyclohexyl-3-(2-morpholinoethyl) carbodiimide metho-p-toluenesulfonate / dimethylsulfoxide; benzene / 16 h / Ambient temperature
4: 75 percent / Na2CO3 / methanol / 18 h / Ambient temperature
5: 41 percent / 1.) p-toluenesulfonic acid monohydrate; 2.) 90percent CH3COOH aq. / Ambient temperature; 1.) DMSO, 4 h; 2.) 4 h
View Scheme
betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione 21-trimethylacetate
72559-93-4

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione 21-trimethylacetate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 71 percent / pyridine / 18 h / 70 °C
2: 58 percent / m-chloroperbenzoic acid / CHCl3 / 1 h / Ambient temperature
3: 61 percent / pyridine/ CF3-COOH/ 1-cyclohexyl-3-(2-morpholinoethyl) carbodiimide metho-p-toluenesulfonate / dimethylsulfoxide; benzene / 16 h / Ambient temperature
4: 75 percent / Na2CO3 / methanol / 18 h / Ambient temperature
5: 64 percent / pyridine / 72 h / Ambient temperature
View Scheme
betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione 17-benzoate
72560-07-7

9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,6,20-trione 17-benzoate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 71 percent / pyridine / 18 h / 70 °C
2: 58 percent / m-chloroperbenzoic acid / CHCl3 / 1 h / Ambient temperature
3: 61 percent / pyridine/ CF3-COOH/ 1-cyclohexyl-3-(2-morpholinoethyl) carbodiimide metho-p-toluenesulfonate / dimethylsulfoxide; benzene / 16 h / Ambient temperature
4: 75 percent / Na2CO3 / methanol / 18 h / Ambient temperature
5: 29 percent / 1.) p-toluenesulfonic acid monohydrate; 2.) 90percent CH3COOH aq. / Ambient temperature; 1.) 120 h; 2.) 4 h
View Scheme
betamethasone 21-acetate
987-24-6

betamethasone 21-acetate

9α-fluoro-6,11β,17α,21-tetrahydroxy-16β-methyl-1,4,6-pregnatriene-3,20-dione 6,17,21-tripropionate
72559-33-2

9α-fluoro-6,11β,17α,21-tetrahydroxy-16β-methyl-1,4,6-pregnatriene-3,20-dione 6,17,21-tripropionate

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 71 percent / pyridine / 18 h / 70 °C
2: 58 percent / m-chloroperbenzoic acid / CHCl3 / 1 h / Ambient temperature
3: 61 percent / pyridine/ CF3-COOH/ 1-cyclohexyl-3-(2-morpholinoethyl) carbodiimide metho-p-toluenesulfonate / dimethylsulfoxide; benzene / 16 h / Ambient temperature
4: 75 percent / Na2CO3 / methanol / 18 h / Ambient temperature
5: 73 percent / 1.) p-toluenesulfonic acid monohydrate; 2.) 90percent CH3COOH aq. / Ambient temperature; 1.) DMSO, 4 h; 2.) 4 h
6: 90 percent / pyridine / 5 h / Ambient temperature
View Scheme

Betamethasone 21-acetate Specification

The Betamethasone acetate has its cas registry number 987-24-6, and its systematic name is(11beta,16beta)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate. Its product categories are including biochemistry; hydroxyketosteroids; steroids; intracellular receptor.

The characteristics of this chemical are as follows: (1)#H bond acceptors: 6; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 78.9; (5)Index of Refraction: 1.571; (6)Molar Refractivity: 109.82 cm3; (7)Molar Volume: 334 cm3; (8)Polarizability: 43.53×10-24 cm3; (9)Surface Tension: 52.9 dyne/cm; (10)Density: 1.3 g/cm3; (11)Flash Point: 304.2 °C; (12)Enthalpy of Vaporization: 99.54 kJ/mol; (13)Boiling Point: 579.4 °C at 760 mmHg; (14)Vapour Pressure: 7.75E-16 mmHg at 25°C; (15)Exact Mass 434.210467; (16)MonoIsotopic Mass 434.210467; (17)Topological Polar Surface Area 101; (18)Heavy Atom Count 31; (19)Complexity 910.

While dealing with this chemical, you should be very cautious. For being a kind of harmful chemical, it may cause damage to health, and it has limited evidence of a carcinogenic effect. Therefore, you had better wear suitable protective clothing while using this chemical and remember not to breathe dust. 

In addition, you could obtain the molecular structure by converting the following datas:
(1)SMILES:O=C(OCC(=O)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@@H]3C)C)C)
(2)InChI:InChI=1/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1

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