5-Methoxy-2-{(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole

Basic Information

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CAS Number

119141-88-7

Molecular Formula

C17H19N3O3S

Molecular Weight

345.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

600°C at 760 mmHg

Specific Rotation

D20 -155° (c = 0.5 in chloroform)

SMILES

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CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1

InChIKey

SUBDBMMJDZJVOS-DEOSSOPVSA-N

LogP

2.8997400000000013

Topological Polar Surface Area

77.10000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

453

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(s)-5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1h-benzimidazole
AKOS016001455
Nexium
CS-0003839
Omeprazole S-form
AS-77669
5-Methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl)benzimidazole
(S)-Esomeprazole
Esomeprazole (INN)
(S)-6-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole
USRE49340, Rank 8
(S)-5-Methoxy-2-[(3,5-dimethyl-4-methoxy-2-pyridyl) methylsulfinyl]1-H-benzimidazole
(-)-Omeprazole
(+)-(5)6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
IZRA 40
ESOMEPRAZOLE [INN]
6-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
1H-Benzimidazole, 5-methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2- pyridinyl)methyl)sulfinyl)-
(S)-(-)-Omeprazole
HY-17021
ESOMEPRAZOLE [WHO-DD]
ESOMEPRAZOLE (MART.)
(S)-5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole
Escz
SCHEMBL19535
BDBM586486
CHEMBL1201320
5-methoxy-2-[(S)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl]-1H-1,3-benzodiazole
Esofag
(5)6-methoxy-2-[[(4-methoxy-3,5dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole
H199/18

MDL Number

MFCD09907604

FAQ

What are the physical and chemical properties of 5-Methoxy-2-{(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole (CAS: 119141-88-7)?

5-Methoxy-2-{(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole is a crystalline solid with a molecular weight of approximately 411.4 g/mol. It is slightly soluble in water and more soluble in organic solvents like methanol and DMSO. Chemically, it is stable under normal conditions but may react with strong acids to form less stable derivatives. This compound is known for its reactivity towards nucleophiles and its ability to undergo sulfinyl substitution reactions.

How is 5-Methoxy-2-{(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole (CAS: 119141-88-7) typically synthesized?

5-Methoxy-2-{(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole is synthesized via a multi-step process involving the formation of the 4-methoxy-3,5-dimethyl-2-pyridine methyl sulfinyl group and subsequent coupling with 5-methoxy-1H-benzimidazole. Commonly, this synthesis involves the use of tert-butyl chloroformate as a coupling agent and triethylamine as a base. The overall yield is typically around 70-80%, with good selectivity for the desired product.

What industries use 5-Methoxy-2-{(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole (CAS: 119141-88-7)?

5-Methoxy-2-{(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole is mainly used in the pharmaceutical industry for its potential therapeutic properties. It is also explored in the sensor and semiconductor industries for its reactivity and electronic properties. This compound can be found in various formulations used in drug development and as a component in advanced sensor technologies.

What precautions should be taken when handling 5-Methoxy-2-{(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole (CAS: 119141-88-7)?

When handling 5-Methoxy-2-{(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.