Pantoprazole supplier | CasNO.102625-70-7

Name
Pantoprazole
EINECS 600-331-6
CAS No. 102625-70-7
Article Data39
CAS DataBase
Density 1.51 g/cm³
Solubility
Melting Point 139-140oC, decomposes
Formula C₁₆H₁₅F₂N₃O₄S
Boiling Point 586.9 °C at 760 mmHg
Molecular Weight 383.376
Flash Point 308.7 °C
Transport Information
Appearance almost white solid
Safety 22-26-36/37/39-45
Risk Codes 20/21/22-37/38-41-48
Molecular Structure
Hazard Symbols Xn
Synonyms 1H-Benzimidazole,5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]- (9CI);2-[[(3,4-Dimethoxypyridin-2-yl)methyl]sulfinyl]-5-difluoromethoxy-1H-benzimidazole;5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole;5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole;BY 1023;Pantozol;SKF 96022;
PSA 105.54000
LogP 3.75000

Synthetic route

: 102625-64-9
pantoprazole sulfide

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
With sodium hydroxide; N-chlorophthalimide In DMF (N,N-dimethyl-formamide); water; acetonitrile at -10 - 20℃; for 1.75h;	98%
With peracetic acid; LACTIC ACID In methanol; dichloromethane at -25 - -20℃; for 1h; Reagent/catalyst;	95%
Stage #1: pantoprazole sulfide With triethylamine In acetonitrile at 0℃; for 0.166667h; pH=8-9; Stage #2: With dihydrogen peroxide In acetonitrile for 10h; Solvent; Temperature; Reagent/catalyst;	94.3%

: 409098-86-8
5-(difluoromethoxy)-2-[[(4-chloro-3-methoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole

: 124-41-4
sodium methylate

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
In methanol for 50h; Product distribution / selectivity; Heating / reflux;	78%
In tetrahydrofuran; methanol for 3 - 4h; Product distribution / selectivity; Heating / reflux;	75%
In methanol; acetonitrile for 3 - 4h; Product distribution / selectivity; Heating / reflux;	75%
Product distribution / selectivity;	51%

: 102625-64-9
pantoprazole sulfide

A: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

B: Pantoprazole sulfone

Conditions

Conditions	Yield
With sodium hydroxide; sodium hypochlorite In water; ethyl acetate at -10 - 20℃; for 1.83333 - 3.25h;	A 71% B n/a

: 953787-51-4
5-(difluoromethoxy)-2-[[(3,4-dimethoxypyridin-2-yl-1-oxide)methyl]sulfanyl]-1H-benzoimidazole

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
With trisodium Edetate; ruthenium trichloride In tetrahydrofuran; 1,4-dioxane; water at 80℃; for 1h;
With edetate trisodium; ruthenium trichloride In tetrahydrofuran; 1,4-dioxane; water at 80℃; for 1h; Heating / reflux;

: 15931-25-6
3-methoxy-2-methyl-4-nitropyridine 1-oxide

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 88 percent / NaOMe / 16 h / 40 °C 2: 2 h / 90 °C 3: 2 N aq. NaOH / 2 h / 80 °C 4: 93 percent / SOCl2 / CH2Cl2 / 2 h / 0 - 5 °C 5: 2 N aq. NaOH / ethanol / 2 h / 50 °C 6: 85 percent / m-chloroperbenzoic acid / CH2Cl2 / 0.5 h / -30 °C View Scheme

: 76015-11-7
2-methyl-3-methoxy-4(1H)-pyridinone

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1: 96 percent / POCl3 / 18 h / 90 °C 2: 90 percent / 30percent aq. H2O2, AcOH / 24 h / 90 °C 3: 91 percent / NaOMe / 18 h 4: 2 h / 90 °C 5: 2 N aq. NaOH / 2 h / 80 °C 6: 93 percent / SOCl2 / CH2Cl2 / 2 h / 0 - 5 °C 7: 2 N aq. NaOH / ethanol / 2 h / 50 °C 8: 85 percent / m-chloroperbenzoic acid / CH2Cl2 / 0.5 h / -30 °C View Scheme

: 35392-65-5
3-methoxy-2-methylpyridine 1-oxide

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: 58 percent / 98percent HNO3 / acetic acid / 33 h / 80 °C 2: 88 percent / NaOMe / 16 h / 40 °C 3: 2 h / 90 °C 4: 2 N aq. NaOH / 2 h / 80 °C 5: 93 percent / SOCl2 / CH2Cl2 / 2 h / 0 - 5 °C 6: 2 N aq. NaOH / ethanol / 2 h / 50 °C 7: 85 percent / m-chloroperbenzoic acid / CH2Cl2 / 0.5 h / -30 °C View Scheme

: 107512-34-5
4-Chloro-3-methoxy-2-methyl-pyridine

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: 90 percent / 30percent aq. H2O2, AcOH / 24 h / 90 °C 2: 91 percent / NaOMe / 18 h 3: 2 h / 90 °C 4: 2 N aq. NaOH / 2 h / 80 °C 5: 93 percent / SOCl2 / CH2Cl2 / 2 h / 0 - 5 °C 6: 2 N aq. NaOH / ethanol / 2 h / 50 °C 7: 85 percent / m-chloroperbenzoic acid / CH2Cl2 / 0.5 h / -30 °C View Scheme

: 122307-41-9
4-chloro-3-methoxy-2-methylpyridine N-oxide

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 91 percent / NaOMe / 18 h 2: 2 h / 90 °C 3: 2 N aq. NaOH / 2 h / 80 °C 4: 93 percent / SOCl2 / CH2Cl2 / 2 h / 0 - 5 °C 5: 2 N aq. NaOH / ethanol / 2 h / 50 °C 6: 85 percent / m-chloroperbenzoic acid / CH2Cl2 / 0.5 h / -30 °C View Scheme

: 72830-08-1
2-hydroxymethyl-3,4-dimethoxypyridine

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 93 percent / SOCl2 / CH2Cl2 / 2 h / 0 - 5 °C 2: 2 N aq. NaOH / ethanol / 2 h / 50 °C 3: 85 percent / m-chloroperbenzoic acid / CH2Cl2 / 0.5 h / -30 °C View Scheme

: 72830-07-0
3,4-dimethoxy-2-methylpyridine N-oxide

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 2 h / 90 °C 2: 2 N aq. NaOH / 2 h / 80 °C 3: 93 percent / SOCl2 / CH2Cl2 / 2 h / 0 - 5 °C 4: 2 N aq. NaOH / ethanol / 2 h / 50 °C 5: 85 percent / m-chloroperbenzoic acid / CH2Cl2 / 0.5 h / -30 °C View Scheme

: 102625-99-0
2-acetoxymethyl-3,4-dimethoxypyridine

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 2 N aq. NaOH / 2 h / 80 °C 2: 93 percent / SOCl2 / CH2Cl2 / 2 h / 0 - 5 °C 3: 2 N aq. NaOH / ethanol / 2 h / 50 °C 4: 85 percent / m-chloroperbenzoic acid / CH2Cl2 / 0.5 h / -30 °C View Scheme

: 72830-09-2
2-Chloromethyl-3,4-dimethoxy-pyridine; hydrochloride

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2 N aq. NaOH / ethanol / 2 h / 50 °C 2: 85 percent / m-chloroperbenzoic acid / CH2Cl2 / 0.5 h / -30 °C View Scheme

pantoprazole sodium: pantoprazole sodium

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
Stage #1: pantoprazole sodium With ethanol Stage #2: With water

concentrated acetic acid: concentrated acetic acid

: 408332-88-7
Diethyl tartrate

: 102625-64-9
pantoprazole sulfide

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
With isopropylbenzene hydroperoxide; titanium(IV) isopropylate In dichloromethane; water; acetonitrile

...Expand

concentrated acetic acid: concentrated acetic acid

: 13811-71-7
diethyl (2S,3S)-tartrate

: 102625-64-9
pantoprazole sulfide

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; isopropylbenzene hydroperoxide; titanium(IV) isopropylate In dichloromethane; water; acetonitrile

...Expand

: magnesium bis[5-[difluoromethoxy]-2-[[3,4-dimethoxy-2-pyridinyl]-methylsulfinyl]-1H-benzimidazolide]

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
With water; acetic acid In ethanol at 20 - 25℃; pH=7.5 - 8; Product distribution / selectivity;

: 97963-62-7
5-(difluoromethoxy)-2-mercapto-1H-benzimidazole

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium hydroxide / ethanol / 8 h / 80 °C 2: 3-chloro-benzenecarboperoxoic acid / chloroform / 4 h / 0 °C View Scheme
Multi-step reaction with 2 steps 1: sodium hydroxide / methanol; water 2: dihydrogen peroxide; sodium tungstate (VI) dihydrate; sodium hydroxide / methanol; water / 20 °C View Scheme
Multi-step reaction with 2 steps 1: sodium hydroxide / water; methanol / 3.5 h / 40 - 55 °C 2: LACTIC ACID; peracetic acid / methanol; dichloromethane / 1 h / -25 - -20 °C View Scheme

: 577-71-9
3,4-dinitophenol

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: caesium carbonate / N,N-dimethyl-formamide / 20 °C 2: palladium 10% on activated carbon; hydrogen / methanol / 12 h / 20 °C 3: sodium carbonate / water / 12 h / 20 - 70 °C 4: sodium hydroxide / methanol; water 5: dihydrogen peroxide; sodium tungstate (VI) dihydrate; sodium hydroxide / methanol; water / 20 °C View Scheme

: 4-(difluoromethoxy)-1,2-dinitrobenzene

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: palladium 10% on activated carbon; hydrogen / methanol / 12 h / 20 °C 2: sodium carbonate / water / 12 h / 20 - 70 °C 3: sodium hydroxide / methanol; water 4: dihydrogen peroxide; sodium tungstate (VI) dihydrate; sodium hydroxide / methanol; water / 20 °C View Scheme

: 172282-50-7
4-(difluoromethoxy)benzene-1,2-diamine

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium carbonate / water / 12 h / 20 - 70 °C 2: sodium hydroxide / methanol; water 3: dihydrogen peroxide; sodium tungstate (VI) dihydrate; sodium hydroxide / methanol; water / 20 °C View Scheme

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

: 138786-67-1
pantoprazole sodium

Conditions

Conditions	Yield
With sodium hydroxide In water; acetonitrile at 20℃;	95%
With sodium hydroxide In ethanol for 5h; Reflux;	95%
With sodium hydroxide In water; ethyl acetate at 20℃; for 5.5h;	92%

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

: pantoprazole sodium sesquihydrate

Conditions

Conditions	Yield
With sodium hydroxide; water In isopropyl alcohol at 20℃; for 1h;	95%
With sodium hydroxide In ethanol; water at 25 - 32℃; for 2.25h;	88.68%
With sodium hydroxide; water at 0 - 35℃; Product distribution / selectivity;	82.3%

: 2414-98-4
magnesium ethylate

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

: magnesium bis[5-[difluoromethoxy]-2-[[3,4-dimethoxy-2-pyridinyl]-methylsulfinyl]-1H-benzimidazolide]

Conditions

Conditions	Yield
In methanol for 0.166667 - 1h; Product distribution / selectivity; Heating / reflux;	88%

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

: 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole sodium salt monohydrate monosolvate with methyl ethyl ketone

Conditions

Conditions	Yield
With sodium hydroxide; butanone In water at 40 - 75℃; Purification / work up;	84.9%

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

: 797789-89-0
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole, sodium salt, complex with one molecule of acetone and two molecules of water

Conditions

Conditions	Yield
With sodium hydroxide; acetone In water at 15 - 45℃; for 1h; Heating / reflux;	80.4%

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

: 67-64-1
acetone

: 797789-89-0
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole, sodium salt, complex with one molecule of acetone and two molecules of water

Conditions

Conditions	Yield
With sodium hydroxide; water at 15 - 45℃; for 1h; Heating / reflux;	80.4%
Stage #1: 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole; acetone at 28℃; Stage #2: With sodium hydroxide; water at 2 - 37℃; for 2.25h;

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

: 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole sodium salt monohydrate monosolvate with diethyl ketone

Conditions

Conditions	Yield
With sodium hydroxide; pentan-3-one In water at 25 - 50℃; for 1h; Purification / work up;	74.9%

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

: 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole sodium salt monohydrate monosolvate with methyl isobutyl ketone

Conditions

Conditions	Yield
With sodium hydroxide; 4-methyl-2-pentanone In water at 25 - 50℃; for 1h; Purification / work up;	69.6%

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

: 142678-35-1
5‐(difluoromethoxy)‐2‐[(3,4‐dimethoxy‐2‐pyridyl)methylsulfinyl]‐1H‐benzimidazole

Conditions

Conditions	Yield
Stage #1: 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole With titanium(IV) isopropylate; diethyl (2S,3S)-tartrate; water; triethylamine In ethyl acetate at 40 - 45℃; Stage #2: With (S)-Mandelic acid In ethyl acetate at 40 - 45℃; for 2h; Stage #3: With sodium hydrogencarbonate In water; ethyl acetate for 0.5h;	55%

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

A: 138786-75-1
9-(difluoromethoxy)-3,4-dimethoxy-5H-pyrido<1',2':4,5><1,2,4>thiadiazino<2,3-a>benzimidazol-13-ium hexafluorophosphate

B: 138786-76-2
10-(difluoromethoxy)-3,4-dimethoxy-5H-pyrido<1',2':4,5><1,2,4>thiadiazino<2,3-a>benzimidazol-13-ium hexafluorophosphate

Conditions

Conditions	Yield
With hexafluorophosphoric acid In methanol at 0 - 5℃; for 1.5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

: 70-34-8
2,4-Dinitrofluorobenzene

: 67-68-5
dimethyl sulfoxide

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

: Meisenheimer complex

Conditions

Conditions	Yield
Kinetics;

...Expand

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

: magnesium bis[5-[difluoromethoxy]-2-[[3,4-dimethoxy-2-pyridinyl]-methylsulfinyl]-1H-benzimidazolide]

Conditions

Conditions	Yield
With magnesium methanolate In isopropyl alcohol at 60 - 70℃;

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

: lithium {[5-(difluoromethoxy)]-2-[(3,4-dimethoxy-2-pyridinyl)-methylsulphinyl]-1H-benzimidazolide}

Conditions

Conditions	Yield
With lithium hydroxide In acetone at 50℃; for 1.83333h;

: 635751-00-7
2-[(chlorocarbonyl)(methyl)amino]ethyl ethyl carbonate

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

A: 2-[[[5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazol-1-yl]carbonyl](methyl)amino]ethyl ethyl carbonate

B: 2-[[[6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimi-dazol-1-yl]carbonyl]methylamino] ethyl ethyl carbonate

Conditions

Conditions	Yield
With triethylamine; dmap In tetrahydrofuran at 60℃; for 17.5h;
With dmap; triethylamine In tetrahydrofuran at 60℃; for 17.5h; Overall yield = 0.09 g;

...Expand

: 16133-25-8
Pyridine-3-sulfonyl chloride

: 102625-70-7
5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

A: 259182-91-7
1-(pyridine-3-sulfonyl)-5-(difluoromethoxy)-2-[[(3,4-dimethoxy-pyridin-2-yl)methyl]sulfinyl]-1H-benzimidazole

B: 259182-92-8
1-(pyridine-3-sulfonyl)-6-(difluoromethoxy)-2-[[(3,4-dimethoxy-pyridin-2-yl)methyl]sulfinyl]-1H-benzimidazole

Conditions

Conditions	Yield
With triethylamine; sodium chloride In dichloromethane

...Expand

Pantoprazole Specification

The IUPAC name of 1H-Benzimidazole,6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]- is 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole. With the CAS registry number 102625-70-7, it is also named as Pantoprazole. The product's categories are Active Pharmaceutical Ingredients; APIs; Pantoprazole. It is almost white solid.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 11.13; (6)ACD/BCF (pH 7.4): 9.09; (7)ACD/KOC (pH 5.5): 194.55; (8)ACD/KOC (pH 7.4): 158.88; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 94.68 Å²; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 91.35 cm³; (15)Molar Volume: 252.7 cm³; (16)Surface Tension: 73.4 dyne/cm; (17)Enthalpy of Vaporization: 87.64 kJ/mol; (18)Vapour Pressure: 9.37E-14 mmHg at 25°C; (19)Rotatable Bond Count: 7; (20)Tautomer Count: 2; (21)Exact Mass: 383.075133; (22)MonoIsotopic Mass: 383.075133; (23)Topological Polar Surface Area: 106; (24)Heavy Atom Count: 26; (25)Complexity: 490.

Preparation of 1H-Benzimidazole,6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-: The condensation of 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole (I) and 2-(Chloromethyl)-3,4-dimethoxypyridinium hydrochloride gives compound (Ⅲ). Then, after oxidation with m-chloroperbenzoic acid, we can get the product.

Uses of 1H-Benzimidazole,6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-: It is a proton pump inhibitor drug that inhibits gastric acid secretion. It is also used for short-term treatment of erosion and ulceration of the esophagus caused by gastroesophageal reflux disease.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to respiratory system and skin. And it has danger of serious damage to health by prolonged exposure. So people should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)Oc3cc1c(nc(n1)S(=O)Cc2nccc(OC)c2OC)cc3
2. InChI:InChI=1/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	3mg/kg/5D-I (3mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS LIVER: OTHER CHANGES	Australian and New Zealand Journal of Medicine. Vol. 29, Pg. 833, 1999.

Product Name

Pantoprazole

Synthetic route

Pantoprazole Specification

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