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ATORVASTATIN SODIUM is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

134523-01-6

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134523-01-6 Usage

Uses

(3R,5R)-Atorvastatin Sodium Salt is an Atorvastatin impurity in bulk drug and tablets.

Check Digit Verification of cas no

The CAS Registry Mumber 134523-01-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,4,5,2 and 3 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 134523-01:
(8*1)+(7*3)+(6*4)+(5*5)+(4*2)+(3*3)+(2*0)+(1*1)=96
96 % 10 = 6
So 134523-01-6 is a valid CAS Registry Number.
InChI:InChI=1/2C33H35FN2O5.Ca.Na/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);;/q;;+2;/p-2/t2*26-,27-;;/m10../s1

134523-01-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name ATORVASTATIN SODIUM

1.2 Other means of identification

Product number -
Other names atorvastatin sodium salt

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:134523-01-6 SDS

134523-01-6Synthetic route

(3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid t-butyl ester
134395-00-9

(3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid t-butyl ester

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
With sodium hydroxide; water In 1,4-dioxane; tert-butyl methyl ether for 21h; Product distribution / selectivity; Heating / reflux;97.7%
With methanol; sodium hydroxide; water In tert-butyl methyl ether for 21h; Product distribution / selectivity; Heating / reflux;91%
With sodium hydroxide; water; tert-butyl alcohol In tert-butyl methyl ether for 21h; Product distribution / selectivity; Heating / reflux;91%
ethyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
1146977-93-6

ethyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
With water; sodium hydroxide at 20℃; for 15h;89%
lipitor
134523-03-8

lipitor

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Stage #1: lipitor With hydrogenchloride In tetrahydrofuran; water at 20℃;
Stage #2: With sodium hydroxide In methanol; water Heating / reflux;
4-fluorobenzaldehyde
459-57-4

4-fluorobenzaldehyde

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 2) NEt3 / 1) ethyl thiazolium catalyst / or with methyl thiazolium catalyst; 1) EtOH
2: 75 percent / pivalic acid / toluene; heptane; tetrahydrofuran / Heating
3: aq. HCl / methanol
4: aq. NaOH / methanol
View Scheme
tert-butyl [(4R,6R)-6-aminoethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate
125971-86-0, 125995-13-3

tert-butyl [(4R,6R)-6-aminoethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 75 percent / pivalic acid / toluene; heptane; tetrahydrofuran / Heating
2: aq. HCl / methanol
3: aq. NaOH / methanol
View Scheme
Multi-step reaction with 3 steps
1: Acidic conditions
2: hydrogenchloride; methanol
3: sodium hydroxide / water
View Scheme
Multi-step reaction with 3 steps
1: Trimethylacetic acid / toluene / 1 h / 105 - 110 °C / Industrial scale
2: hydrogenchloride / methanol; water / 0 - 30 °C / Industrial scale
3: water; sodium hydroxide / methanol / 2.5 h / 0 - 30 °C / Industrial scale
View Scheme
Multi-step reaction with 3 steps
1: Trimethylacetic acid; diisopropylamine; tetra(n-butyl)ammonium hydrogensulfate / 40 h / 78 - 85 °C
2: hydrogenchloride; water / methanol / 25 - 30 °C
3: water; sodium hydroxide
View Scheme
2-((4R, 6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid tert-butyl ester
125971-94-0

2-((4R, 6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid tert-butyl ester

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 95 percent / H2, ammonia / Molybdenum doped Raney nickel / methanol / 2585.7 Torr
2: 75 percent / pivalic acid / toluene; heptane; tetrahydrofuran / Heating
3: aq. HCl / methanol
4: aq. NaOH / methanol
View Scheme
Multi-step reaction with 4 steps
1: hydrogen; nickel; ammonia / methanol
2: Acidic conditions
3: hydrogenchloride; methanol
4: sodium hydroxide / water
View Scheme
Multi-step reaction with 4 steps
1: hydrogen; ammonia / cyclohexane; water / 30 - 40 °C / 3750.38 Torr / Autoclave
2: Trimethylacetic acid; diisopropylamine; tetra(n-butyl)ammonium hydrogensulfate / 40 h / 78 - 85 °C
3: hydrogenchloride; water / methanol / 25 - 30 °C
4: water; sodium hydroxide
View Scheme
2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic acid phenylamide
125971-96-2

2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic acid phenylamide

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 75 percent / pivalic acid / toluene; heptane; tetrahydrofuran / Heating
2: aq. HCl / methanol
3: aq. NaOH / methanol
View Scheme
Multi-step reaction with 2 steps
1.1: Trimethylacetic acid / n-heptane / 100 °C
2.1: hydrogenchloride; water / methanol / 25 - 30 °C
2.2: -10 °C
View Scheme
Multi-step reaction with 3 steps
1: Trimethylacetic acid / toluene / 1 h / 105 - 110 °C / Industrial scale
2: hydrogenchloride / methanol; water / 0 - 30 °C / Industrial scale
3: water; sodium hydroxide / methanol / 2.5 h / 0 - 30 °C / Industrial scale
View Scheme
tert-butyl (4R,6R)-6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxane-4-acetate
125971-95-1

tert-butyl (4R,6R)-6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxane-4-acetate

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aq. HCl / methanol
2: aq. NaOH / methanol
View Scheme
Stage #1: tert-butyl (4R,6R)-6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxane-4-acetate With hydroxylamine hydrochloride In methanol; water; acetone at 55 - 65℃; Industry scale;
Stage #2: With sodium hydroxide In methanol; water at 35 - 45℃; Product distribution / selectivity;
Stage #1: tert-butyl (4R,6R)-6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxane-4-acetate With hydrogenchloride; water In tetrahydrofuran at 25℃; for 6.25h; Industry scale;
Stage #2: With sodium hydroxide In tetrahydrofuran at 31℃; for 14h; Product distribution / selectivity; Cooling;
[R(R*,R*)]-2-(4-fluorophenyl)-β,δ-di(tert-butyldimethylsiloxy)-5-(1-methylethyl)-3-phenyl-4-[(pheny)carbonyl]-1H-pyrrole-1-heptanoic acid test-butyl ester
697266-12-9

[R(R*,R*)]-2-(4-fluorophenyl)-β,δ-di(tert-butyldimethylsiloxy)-5-(1-methylethyl)-3-phenyl-4-[(pheny)carbonyl]-1H-pyrrole-1-heptanoic acid test-butyl ester

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
With sodium hydroxide In methanol; water for 6h; Heating / reflux;
atorvastatin
134523-00-5

atorvastatin

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
With sodium hydroxide In water; acetonitrile at 20℃; for 144h;
With sodium hydroxide In water
With sodium hydroxide In water
(6-{2-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrolidin-1-yl]-ethyl}-2-phenyl-[1,3,2] dioxaborinan-4-yl)-acetic acid tert-butyl ester

(6-{2-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrolidin-1-yl]-ethyl}-2-phenyl-[1,3,2] dioxaborinan-4-yl)-acetic acid tert-butyl ester

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Stage #1: (6-{2-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrolidin-1-yl]-ethyl}-2-phenyl-[1,3,2] dioxaborinan-4-yl)-acetic acid tert-butyl ester In tetrahydrofuran for 0.5h;
Stage #2: With sodium hydroxide; water In tetrahydrofuran for 2 - 4h; Product distribution / selectivity; Heating / reflux;
C34H35FN2O3

C34H35FN2O3

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
With sodium hydroxide In methanol; water; acetone at 60℃; for 0.666667h; pH=12; Product distribution / selectivity;
With sodium hydroxide In water; isopropyl alcohol; acetone at 65℃; for 0.75h; pH=11.9; Product distribution / selectivity;
atorvastatin lactone
125995-03-1

atorvastatin lactone

(3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid t-butyl ester
134395-00-9

(3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid t-butyl ester

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
With sodium hydroxide; water In methanol at 35 - 45℃; for 0.5 - 0.666667h; Product distribution / selectivity;
With sodium hydroxide; water In ethanol at 35 - 45℃; for 0.5 - 0.666667h; Product distribution / selectivity;
tert-butyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2-phenyl-1,3,2-dioxaborinan-4-yl)acetate
849928-46-7

tert-butyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2-phenyl-1,3,2-dioxaborinan-4-yl)acetate

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
With water; sodium hydroxide In tetrahydrofuran at 20℃; for 3h;
With water; sodium hydroxide In tetrahydrofuran at 20℃; for 3h;
tert-butyl (4S,6S)-6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxane-4-acetate
472967-95-6

tert-butyl (4S,6S)-6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxane-4-acetate

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Stage #1: tert-butyl (4S,6S)-6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxane-4-acetate With hydrogenchloride In acetonitrile at 20℃;
Stage #2: With sodium hydroxide In water; acetonitrile at 20℃;
Stage #3: With hydrogenchloride In water; acetonitrile pH=9.0 - 9.5; Product distribution / selectivity;
Atorvastatin boronate

Atorvastatin boronate

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
With sodium hydroxide In methanol; water at 100℃; for 4h;
cis-t-butyl-7-nitro-3,5-dihydroxy-heptanoate
1370478-51-5

cis-t-butyl-7-nitro-3,5-dihydroxy-heptanoate

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1: methanesulfonic acid / tetrahydrofuran / 0 °C
2: hydrogen; ammonia / palladium 10% on activated carbon / water; tetrahydrofuran; methanol / 6 h / 20 °C
3: triethylamine / acetonitrile / 0 - 20 °C / Inert atmosphere
4: triethylamine / dichloromethane / 0 °C / Inert atmosphere
5: acetic anhydride / 5 h / 75 - 80 °C / Inert atmosphere
6: hydrogenchloride; water / methanol / 1.5 h / 20 °C
7: sodium hydroxide; water / methanol / 0 - 20 °C / pH 12
View Scheme
cis-t-butyl-2-methoxy-3,5-dioxane-6-amino-(N-ethyl-(4-fluorobenzene)-acetate)-heptanoate

cis-t-butyl-2-methoxy-3,5-dioxane-6-amino-(N-ethyl-(4-fluorobenzene)-acetate)-heptanoate

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: triethylamine / dichloromethane / 0 °C / Inert atmosphere
2: acetic anhydride / 5 h / 75 - 80 °C / Inert atmosphere
3: hydrogenchloride; water / methanol / 1.5 h / 20 °C
4: sodium hydroxide; water / methanol / 0 - 20 °C / pH 12
View Scheme
cis-t-butyl-2-ethoxy-3,5-dioxane-6-amino(N,N-((4-fluorobenzene)isobutyryl)-acetic acid)-heptanoate

cis-t-butyl-2-ethoxy-3,5-dioxane-6-amino(N,N-((4-fluorobenzene)isobutyryl)-acetic acid)-heptanoate

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: acetic anhydride / 5 h / 75 - 80 °C / Inert atmosphere
2: hydrogenchloride; water / methanol / 1.5 h / 20 °C
3: sodium hydroxide; water / methanol / 0 - 20 °C / pH 12
View Scheme
cis-t-butyl-2-methoxy-3,5-dioxane-7-nitro-heptanoate

cis-t-butyl-2-methoxy-3,5-dioxane-7-nitro-heptanoate

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: hydrogen; ammonia / palladium 10% on activated carbon / water; tetrahydrofuran; methanol / 6 h / 20 °C
2: triethylamine / acetonitrile / 0 - 20 °C / Inert atmosphere
3: triethylamine / dichloromethane / 0 °C / Inert atmosphere
4: acetic anhydride / 5 h / 75 - 80 °C / Inert atmosphere
5: hydrogenchloride; water / methanol / 1.5 h / 20 °C
6: sodium hydroxide; water / methanol / 0 - 20 °C / pH 12
View Scheme
cis-t-butyl-2-methoxy-3,5-dioxane-7-amino-heptanoate

cis-t-butyl-2-methoxy-3,5-dioxane-7-amino-heptanoate

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: triethylamine / acetonitrile / 0 - 20 °C / Inert atmosphere
2: triethylamine / dichloromethane / 0 °C / Inert atmosphere
3: acetic anhydride / 5 h / 75 - 80 °C / Inert atmosphere
4: hydrogenchloride; water / methanol / 1.5 h / 20 °C
5: sodium hydroxide; water / methanol / 0 - 20 °C / pH 12
View Scheme
ethyl 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-5-hydroxyhept-3-enoate

ethyl 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-5-hydroxyhept-3-enoate

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 24 h / 20 °C
2: benzaldehyde; potassium tert-butylate / tetrahydrofuran / 1.75 h / -5 °C
3: hydrogenchloride / water; methanol; tetrahydrofuran / 3 h / 50 °C
4: sodium hydroxide; water / 15 h / 20 °C
View Scheme
ethyl 2-[6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1Hpyrrol-1-yl]ethyl}-2-phenyl-1,3-dioxan-4-yl]acetate

ethyl 2-[6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1Hpyrrol-1-yl]ethyl}-2-phenyl-1,3-dioxan-4-yl]acetate

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: hexane; isopropyl alcohol / 50 - 60 °C
2: hydrogenchloride / water; methanol; tetrahydrofuran / 3 h / 50 °C
3: sodium hydroxide; water / 15 h / 20 °C
View Scheme
C35H37FN2O4

C35H37FN2O4

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: benzaldehyde; potassium tert-butylate / tetrahydrofuran / 1.75 h / -5 °C
2: hydrogenchloride / water; methanol; tetrahydrofuran / 3 h / 50 °C
3: sodium hydroxide; water / 15 h / 20 °C
View Scheme
ethyl 2-[(2R,4R,6R)-6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1Hpyrrol-1-yl]ethyl}-2-phenyl-1,3-dioxan-4-yl]acetate

ethyl 2-[(2R,4R,6R)-6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1Hpyrrol-1-yl]ethyl}-2-phenyl-1,3-dioxan-4-yl]acetate

atorvastatin sodium
134523-01-6

atorvastatin sodium

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogenchloride / water; methanol; tetrahydrofuran / 3 h / 50 °C
2: sodium hydroxide; water / 15 h / 20 °C
View Scheme
atorvastatin sodium
134523-01-6

atorvastatin sodium

atorvastatin
134523-00-5

atorvastatin

Conditions
ConditionsYield
With sodium hydroxide at 60 - 70℃; pH=12-13;95%
With hydrogenchloride In dichloromethane; water for 0.5h; Cooling with ice;94%
atorvastatin sodium
134523-01-6

atorvastatin sodium

lipitor
134523-03-8

lipitor

Conditions
ConditionsYield
With calcium acetate In water at 20℃; for 2h;93%
With calcium acetate In methanol; water at 60 - 65℃; for 2h; Industrial scale;85.4%
With calcium acetate In water at 13 - 63℃;
methanol
67-56-1

methanol

atorvastatin sodium
134523-01-6

atorvastatin sodium

(3R,5R)-methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
345891-62-5

(3R,5R)-methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

Conditions
ConditionsYield
With sulfuric acid at 0 - 20℃; for 2.58333h;88%
atorvastatin sodium
134523-01-6

atorvastatin sodium

hexan-1-ol
111-27-3

hexan-1-ol

hexyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

hexyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

Conditions
ConditionsYield
With sulfuric acid In dichloromethane at 0 - 20℃; for 2.58333h;70%
ethanol
64-17-5

ethanol

atorvastatin sodium
134523-01-6

atorvastatin sodium

ethyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
1146977-93-6

ethyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

Conditions
ConditionsYield
With sulfuric acid at 0 - 20℃; for 2.58333h;68%
atorvastatin sodium
134523-01-6

atorvastatin sodium

butan-1-ol
71-36-3

butan-1-ol

butyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

butyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

Conditions
ConditionsYield
With sulfuric acid In dichloromethane at 0 - 20℃; for 2.58333h;59%
atorvastatin sodium
134523-01-6

atorvastatin sodium

{[R-(R*,R*)]-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid} hemi-magnesium salt

{[R-(R*,R*)]-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid} hemi-magnesium salt

Conditions
ConditionsYield
With magnesium chloride In tert-butyl methyl ether; water for 1.41667h;
With hydrogenchloride; magnesium acetate In water; acetone at 25 - 45℃; for 73.5h; pH=8 - 8.5; Product distribution / selectivity;
atorvastatin sodium
134523-01-6

atorvastatin sodium

[R-(RS,RS)]-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid iron salt

[R-(RS,RS)]-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid iron salt

Conditions
ConditionsYield
With iron(II) sulfate In water at 40 - 45℃; for 1h; Product distribution / selectivity;
With iron(II) chloride In water at 40 - 45℃; for 2h; Product distribution / selectivity;
calcium acetate
62-54-4

calcium acetate

atorvastatin sodium
134523-01-6

atorvastatin sodium

lipitor
134523-03-8

lipitor

Conditions
ConditionsYield
In methanol; water at 13 - 63℃; Product distribution / selectivity;
atorvastatin sodium
134523-01-6

atorvastatin sodium

atorvastatin hemicalcium

atorvastatin hemicalcium

Conditions
ConditionsYield
With calcium chloride In water at 35 - 45℃; for 0.166667 - 0.5h; Product distribution / selectivity;
With calcium acetate In methanol; water at 50℃;
With calcium chloride In methanol; tert-butyl methyl ether; water at 25 - 30℃; pH=7.5 - 8.5; Product distribution / selectivity;

134523-01-6Relevant articles and documents

PROCESS FOR THE CONTINUOUS MANUFACTURE OF STATINS

-

, (2021/06/04)

The present invention relates to process for the continuous manufacture of Statins or salts thereof. The present invention relates to process for the continuous manufacture of Atorvastatin or a salt thereof. The present invention relates to a continuous m

Method for purifying atorvastatin calcium intermediate

-

, (2021/09/01)

The atorvastatin calcium intermediate is subjected to hydrolysis reaction to obtain the reaction liquid of atorvastatin calcium intermediate. The reaction liquid is extracted with a stripping solvent and is separated and separated to obtain an aqueous pha

AN IMPROVED AND COMMERCIALLY VIABLE PROCESS FOR PREPARATION OF PYRROLE DERIVATIVES WITH IMPROVED IMPURITY PROFILE & MINIMISATION OF UNIT OPERATIONS.

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, (2020/02/14)

The present invention relates to improved process for the preparation of a pyrrole derivative as a racemic mixture, an enantiomer, a diastereoisomer, a mixture thereof, a tautomer thereof or a pharmaceutically acceptable salt and hydrates thereof and also intermediates involved therein. Particularly invention is directed to improved processes for the preparation of pyrrole derivatives such as (4R,cis)-6-[2-[3-phenyl-4-(phenyl-carbamoyl)-2-(4-fluorophenyl)-5-(1-methyl-ethyl)-pyrrole-1-yl]-2,2-dimethyl-[1,3]dioxane-4-yl-acetic acid-tertiary butyl ester of formula IV followed by its conversion into [R-(R*, R*]-2-(4-fluorophenyl)- β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1- heptanoic acid particularly calcium salt and its hydrate represented by Formulae I/IA respectively wherein formation of the impurities is either eliminated or minimized in the corresponding intermediaries.

Preparation method of crystal form I atorvastatin calcium

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, (2020/02/29)

The invention discloses a preparation method of crystal form I atorvastatin calcium. The method includes the steps of: preparation of atorvastatin ester; preparation of an atorvastatin salt; preparation of atorvastatin calcium; refining an atorvastatin ca

Preparing method of high-purity atorvastatin calcium

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, (2018/10/19)

The invention discloses a preparing method of high-purity atorvastatin calcium, and belongs to the technical field of organic synthesis. The method includes the steps of making a compound V and calcium acetate react in a water and alcohol mixed solvent system, and conducting cooling crystallization and filtration after the reaction is completed to obtain an atorvastatin calcium crude product, wherein the reaction temperature is 40-70 DEG C, the volume ratio of alcohols to water in the reaction system is 1:(2-8), and the mass percentage concentration of the compound V in a mixed solvent is 5-10%; dissolving the atorvastatin calcium crude product in a recrystallization solvent A, adding I-type atorvastatin calcium crystals at 45-85 DEG C for crystal transformation, and conducting cooling crystallization, filtration, washing and drying after crystal transformation is completed to obtain a fine product, wherein the mass percentage concentration of the atorvastatin calcium crude product inthe recrystallization solvent A is 5-10%. The method has the advantages of being high in product purity, easy and safe to operate, high in yield and the like and is suitable for large-scale industrialproduction.

Synthesis method of atorvastatin calcium

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, (2018/12/02)

The invention relates to a synthesis method of an atorvastatin calcium. A cheap and easy-to-get Paal-Knorr cyclization product formula-V compound is subjected to hydroxyl deprotection, esterolysis andsalinization so as to obtain a target product atorvasta

Enantioselective synthesis of allylboronates and allylic alcohols by copper-catalyzed 1,6-boration

Luo, Yunfei,Roy, Iain D.,Madec, Amael G. E.,Lam, Hon Wai

, p. 4186 - 4190 (2014/05/06)

Chiral secondary allylboronates are obtained in high enantioselectivities and 1,6:1,4 ratios by the copper-catalyzed 1,6-boration of electron-deficient dienes with bis(pinacolato)diboron (B2(pin)2). The reactions proceed efficiently using catalyst loadings as low as 0.0049 mol %. The allylboronates may be oxidized to the allylic alcohols, and can be used in stereoselective aldehyde allylborations. This process was applied to a concise synthesis of atorvastatin, in which the key 1,6-boration was performed using only a 0.02 mol % catalyst loading. 1,6-Borations of electron-deficient dienes with bis(pinacolato)diboron using copper catalyst loadings as low as 0.0049 mol % provided chiral allylboronates that, after oxidation, result in allylic alcohols in high enantioselectivities and 1,6:1,4 ratios. The allylboronates can also be used in stereoselective allylations of aldehydes. This process was applied to a concise synthesis of atorvastatin.

Spectroscopic characterization and quantitative determination of atorvastatin calcium impurities by novel HPLC method

Gupta, Lokesh Kumar

, p. 495 - 501,7 (2012/12/11)

Seven process related impurities were identified by LC-MS in the atorvastatin calcium drug substance. These impurities were identified by LC-MS. The structure of impurities was confirmed by modern spectroscopic techniques like 1H NMR and IR and physicochemical studies conducted by using synthesized authentic reference compounds. The synthesized reference samples of the impurity compounds were used for the quantitative HPLC determination. These impurities were detected by newly developed gradient, reverse phase high performance liquid chromatographic (HPLC) method. The system suitability of HPLC analysis established the validity of the separation. The analytical method was validated according to International Conference of Harmonization (ICH) with respect to specificity, precision, accuracy, linearity, robustness and stability of analytical solutions to demonstrate the power of newly developed HPLC method.

Spectroscopic characterization and quantitative determination of atorvastatin calcium impurities by novel HPLC method

Gupta, Lokesh Kumar

, p. 495 - 501 (2013/01/13)

Seven process related impurities were identified by LC-MS in the atorvastatin calcium drug substance. These impurities were identified by LC-MS. The structure of impurities was confirmed by modern spectroscopic techniques like 1H NMR and IR and physicochemical studies conducted by using synthesized authentic reference compounds. The synthesized reference samples of the impurity compounds were used for the quantitative HPLC determination. These impurities were detected by newly developed gradient, reverse phase high performance liquid chromatographic (HPLC) method. The system suitability of HPLC analysis established the validity of the separation. The analytical method was validated according to International Conference of Harmonization (ICH) with respect to specificity, precision, accuracy, linearity, robustness and stability of analytical solutions to demonstrate the power of newly developed HPLC method.

PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN

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, (2011/05/16)

The present invention relates to a preparation process useful in synthesis of atorvastatin, more particularly a process for preparing atorvastatin is effective in treating hyperlipemia, comprising protecting the dihydroxy group at C3 and C5 positions of t

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