2-MERCAPTO-5-METHOXYBENZIMIDAZOLE CAS#37052-78-1

CAS Number: 37052-78-1
Chemical Formula: C8H8N2OS
Synonyms:

5-Methoxye-2-mercaplobenzinidazole
TIMTEC-BB SBB000219
2-MERCAPTO-5-METHOXY-1H-BENZIMIDAZOLE

Appearance: White Powder

MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)

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Product Details

2-MERCAPTO-5-METHOXYBENZIMIDAZOLE CAS#37052-78-1

2-Mercapto-5-methoxybenzimidazole is used in the preparation of COX-2 inhibitors. It is also employed in the preparation of compounds such as 5-methoxy-2[[(4-methoxy-3, 5-dimethyl-2-pyridinyl) methyl] sulfonyl]-1H-benzimidazole, 5-methoxy-2[[(4-methoxy-3, 5-dimethylpyridin-2-yl-1-oxide) methyl] sulfonyl]-1H-benzimidazole as well as tris[μ-1,2-bis(diphenylphosphino)ethane]-1:2κ2P:P′;1:3κ2P:P′;2:3κ2P:P′-di-μ-bromido-1:2κ4Br:Br-bromido-3κBr-tricopper(I) acetone hemisolvate. Furthermore, it acts as a hetercocyclic building block and serves as an intermediate of drug omeprazole1. Finally, it acts as an intermediate for manufacture of the anti-ulcer drug Omeprazole.

2-MERCAPTO-5-METHOXYBENZIMIDAZOLE Chemical Properties

Melting point	261-263 °C(lit.)
Boiling point	309.4±44.0 °C(Predicted)
density	1.2425 (rough estimate)
vapor pressure	0.001Pa at 25℃
refractive index	1.5690 (estimate)
storage temp.	2-8°C
solubility	DMSO (Slightly), Methanol (Sparingly)
form	Powder
pka	10.13±0.30(Predicted)
color	Off-white to light yellow-brown
Water Solubility	insoluble
Sensitive	Air Sensitive
BRN	3605123
InChI	1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
InChIKey	KOFBRZWVWJCLGM-UHFFFAOYSA-N
SMILES	COc1ccc2[nH]c(S)nc2c1
LogP	1.52-2.399
CAS DataBase Reference	37052-78-1(CAS DataBase Reference)

Safety Information

Hazard Codes	Xi,Xn
Risk Statements	36/37/38-37-22
Safety Statements	26-36
WGK Germany	3
HazardClass	IRRITANT
HS Code	29332900
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral Aquatic Chronic 3 Skin Sens. 1

Product Application Of 2-MERCAPTO-5-METHOXYBENZIMIDAZOLE CAS#37052-78-1

5-Methoxy-2-benzimidazolethiol may be used in the preparation of compounds present as contaminants in omeprazole, such as 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole and 5-methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl-1-oxide)methyl]sulfonyl]-1H-benzimidazole. It may be used in the synthesis of tris[μ-1,2-bis(diphenylphosphino)ethane]-1:2κ2P:P′;1:3κ2P:P′;2:3κ2P:P′-di-μ-bromido-1:2κ4Br:Br-bromido-3κBr-tricopper(I) acetone hemisolvate.

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