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987-24-6

Basic Information
CAS No.: 987-24-6
Name: Betamethasone 21-acetate
Article Data: 7
Molecular Structure:
Molecular Structure of 987-24-6 (Betamethasone 21-acetate)
Formula:  C24H31FO6
Molecular Weight: 434.505
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;
EINECS: 213-578-6
Density: 1.3 g/cm3
Melting Point: 200-220 °C (dec.)
Boiling Point: 579.4 °C at 760 mmHg
Flash Point: 304.2 °C
Solubility: 30mg/L(25 oC)
Hazard Symbols: HarmfulXn
Risk Codes: 40
Safety: 22-36
PSA: 100.90000
LogP: 2.46650
Synthetic route
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

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

987-24-6

betamethasone 21-acetate

Conditions
ConditionsYield
With hydrogen fluoride In chloroform
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

127-08-2

potassium acetate

987-24-6

betamethasone 21-acetate

Conditions
ConditionsYield
With acetic acid In water; acetone for 3h; Heating;180 mg
884488-47-5

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

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
37413-99-3

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

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
915-35-5

hecogenin 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
910-99-6

17α,21-dihydroxy-16β-methyl-1,4,9(11)-pregnatriene-3,20-dione 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
378-44-9

betamethasone

108-24-7

acetic anhydride

987-24-6

betamethasone 21-acetate

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

chloro-trimethyl-silane

987-24-6

betamethasone 21-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%
987-24-6

betamethasone 21-acetate

378-44-9

betamethasone

Conditions
ConditionsYield
With methanol; sodium methylate at 25℃; for 4h;90%
Downstream Products
378-44-9
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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