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806-29-1

806-29-1

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806-29-1 Usage

Uses

6α,9α-Difluoroprednisolone has shown to increase metastases and increase glucocorticoid activity in C57/BL6 mice.

Check Digit Verification of cas no

The CAS Registry Mumber 806-29-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,0 and 6 respectively; the second part has 2 digits, 2 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 806-29:
(5*8)+(4*0)+(3*6)+(2*2)+(1*9)=71
71 % 10 = 1
So 806-29-1 is a valid CAS Registry Number.
InChI:InChI=1/C21H26F2O5/c1-18-5-3-11(25)7-14(18)15(22)8-13-12-4-6-20(28,17(27)10-24)19(12,2)9-16(26)21(13,18)23/h3,5,7,12-13,15-16,24,26,28H,4,6,8-10H2,1-2H3

806-29-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-α-Fluoro-isoflupredone

1.2 Other means of identification

Product number -
Other names 6alpha,9-difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:806-29-1 SDS

806-29-1Synthetic route

21-acetoxy-6α,9-difluoro-11β,17-dihydroxy-pregna-1,4-diene-3,20-dione
52-70-0

21-acetoxy-6α,9-difluoro-11β,17-dihydroxy-pregna-1,4-diene-3,20-dione

6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione
806-29-1

6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione

Conditions
ConditionsYield
With potassium hydrogencarbonate
21-acetoxy-9,11β-epoxy-6α-fluoro-17-hydroxy-9β-pregna-1,4-diene-3,20-dione
3802-45-7

21-acetoxy-9,11β-epoxy-6α-fluoro-17-hydroxy-9β-pregna-1,4-diene-3,20-dione

6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione
806-29-1

6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: HF
2: aqueous methanol.KHCO3
View Scheme
1-(benzyloxy)-4-(trimethoxymethyl)benzene
1257087-36-7

1-(benzyloxy)-4-(trimethoxymethyl)benzene

6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione
806-29-1

6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione

(6α,11β)-6,9-difluoro-11,21-dihydroxy-3,20-dioxopregna-1,4-dien-17-yl 4-(benzyloxy)benzoate
1257086-20-6

(6α,11β)-6,9-difluoro-11,21-dihydroxy-3,20-dioxopregna-1,4-dien-17-yl 4-(benzyloxy)benzoate

Conditions
ConditionsYield
Stage #1: 1-(benzyloxy)-4-(trimethoxymethyl)benzene; 6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione With toluene-4-sulfonic acid In 1,4-dioxane; toluene at 80℃; for 18h;
Stage #2: With water In acetic acid at 20℃; for 18h;		10%
6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione
806-29-1

6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione

(6α,11β,17α)-6,9-difluoro-11,17-dihydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid
1234557-20-0

(6α,11β,17α)-6,9-difluoro-11,17-dihydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid

Conditions
ConditionsYield
Stage #1: 6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione With potassium carbonate In methanol at 20℃; for 20h;
Stage #2: With hydrogenchloride In water pH=4.5;
6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione
806-29-1

6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione

(6α,11β,17α)-17-[(4-benzylbenzoyl)oxy]-6,9-difluoro-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid
1257086-79-5

(6α,11β,17α)-17-[(4-benzylbenzoyl)oxy]-6,9-difluoro-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: potassium carbonate / methanol / 20 h / 20 °C
1.2: pH 4.5
2.1: triethylamine / dichloromethane / 0 - 20 °C
View Scheme
6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione
806-29-1

6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione

cyanomethyl (6α,11β,17α)-17-[(biphenyl-4-ylcarbonyl)oxy]-6,9-difluoro-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate
1257085-90-7

cyanomethyl (6α,11β,17α)-17-[(biphenyl-4-ylcarbonyl)oxy]-6,9-difluoro-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: potassium carbonate / methanol / 20 h / 20 °C
1.2: pH 4.5
2.1: pyridine / acetone / 4 h / 20 °C / Cooling with ice
2.2: pH 2
2.3: 94.5 h / 20 °C / Cooling with ice
View Scheme
6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione
806-29-1

6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione

cyanomethyl (6α,11β,17α)-17-[(4-benzylbenzoyl)oxy]-6,9-difluoro-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate
1257085-89-4

cyanomethyl (6α,11β,17α)-17-[(4-benzylbenzoyl)oxy]-6,9-difluoro-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: potassium carbonate / methanol / 20 h / 20 °C
1.2: pH 4.5
2.1: triethylamine / dichloromethane / 0 - 20 °C
3.1: sodium hydrogencarbonate / N,N-dimethyl-formamide / 90 h / 0 - 20 °C
View Scheme
6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione
806-29-1

6α,9-difluoro-11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione

cyanomethyl (6α,11β,17α)-6,9-difluoro-11-hydroxy-17-[(4-{[(4-hydroxyphenyl)thio]methyl}benzoyl)oxy]-3-oxoandrosta-1,4-diene-17-carboxylate
1257086-00-2

cyanomethyl (6α,11β,17α)-6,9-difluoro-11-hydroxy-17-[(4-{[(4-hydroxyphenyl)thio]methyl}benzoyl)oxy]-3-oxoandrosta-1,4-diene-17-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: potassium carbonate / methanol / 20 h / 20 °C
1.2: pH 4.5
2.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 1 h / 0 °C
2.2: 18 h / 20 °C
View Scheme
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