CAS No.987-24-6,Betamethasone 21-acetate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	987-24-6
Name:	Betamethasone 21-acetate
Article Data:	7

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:	Xn
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Yield

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

Conditions	Yield
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

Conditions	Yield
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

Yield

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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 16h;	99%

: 987-24-6
betamethasone 21-acetate

: 378-44-9
betamethasone

Conditions

Conditions	Yield
With methanol; sodium methylate at 25℃; for 4h;	90%

Raw Materials

910-99-6

912-38-9

467-55-0

915-35-5

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