[ CAS No. 853950-49-9 ] {[proInfo.proName]}

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Quality Control of [ 853950-49-9 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 853950-49-9 ]

CAS No. :	853950-49-9	MDL No. :	MFCD09840354
Formula :	C₁₆H₁₆N₄O₄S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	360.39	Pubchem ID :	-
Synonyms :

Safety of [ 853950-49-9 ]

Signal Word:	Class:	N/A
Precautionary Statements:	UN#:	N/A
Hazard Statements:	Packing Group:	N/A

Application In Synthesis of [ 853950-49-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 853950-49-9 ]

[ 853950-49-9 ] Synthesis Path-Downstream 1~1

1
[ 853950-49-9 ]
[ CAS Unavailable ]
[ 119141-88-7 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol at 10 - 50℃; for 3h;	2 Example 2; (S)-5-MethOxy-2-[[(3, 5-dimethyl-4-nitro-2-pyridinyl) methyl] sulfinyl]-1 H- benzimidazole (ee: 95%, 10 gm) is mixed with methanol (100 ml) and the contents are cooled to 10°C. Sodium methoxide solution (20 ml, 30% in methanol) is added and heated to 50°C. The contents are maintained at this temperature for 3 hours, cooled to 25°C and water (100 ml) is added. The pH of the reaction mass is adjusted to 8.0 with acetic acid. Then the reaction mass is extracted with methylene dichloride (100 ml), the layers are separated and the methylene dichloride layer is washed with water (100 ml). Methylene dichloride layer is dried with sodium sulfate, methylene dichloride solvent is distilled off to obtain (S)-5-MethOxy-2-[[(4-methOxy-3, 5-dimethyl-2-pyridinyl) methyl] sulfinyl]-1H- benzimidazole as residue. The residue is dissolved in methanol (30 ml), cooled to 10°C and then potassium hydroxide (1.5 gm) in methanol (10 mi) is added slowly for 15 minutes. The reaction mass is stirred for 12 hours and the solid obtained is filtered to obtain potassium salt of (S)-5-Methoxy-2- [ [ (4-methoxy-3, 5- dimethyl-2-pyridinyl) methyl] sulfinyl]-1 H-benzimidazole (ee: 95%).

Reference： [1]Current Patent Assignee: HETERO DRUGS LIMITED - WO2005/54228, 2005, A1 Location in patent: Page/Page column 5

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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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Physical hazards
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
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H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
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H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
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H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
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H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
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H310	Fatal in contact with skin
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Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 853950-49-9 ] {[proInfo.proName]}

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[ 853950-49-9 ] Synthesis Path-Downstream 1~1

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