[ CAS No. 96989-50-3 ] {[proInfo.proName]}

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2D 3D

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Quality Control of [ 96989-50-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 96989-50-3 ]

SDS Specification

Alternatived Products of [ 96989-50-3 ]

Product Details of [ 96989-50-3 ]

CAS No. :	96989-50-3	MDL No. :	MFCD00074870
Formula :	C₁₁H₈N₂O₂S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IKYOVSVBLHGFMA-UHFFFAOYSA-N
M.W :	232.26	Pubchem ID :	719784
Synonyms :

Safety of [ 96989-50-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 96989-50-3 ]

* 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 [ 96989-50-3 ]

[ 96989-50-3 ] Synthesis Path-Downstream 1~12

1
[ 4214-57-7 ]
[ 96989-50-3 ]
[ 178929-37-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 5139 - 5143

2
[ 22802-67-1 ]
[ 96989-50-3 ]
[ 70751-84-7 ]

Yield	Reaction Conditions	Operation in experiment
	In dichloromethane;	PREPARATION 32.1 2-Methoxy-5-(5-methylsulfonyl-1H-tetrazol-1-yl)benzoic Acid According to the method of Tet. Let., 26, 1661 (1985), combine <strong>[22802-67-1]methyl 2-methoxy-5-aminobenzoate</strong> (0.5 g, 2.76 mmol) and di-2-pyridyl thionocarbonate (0.64 g, 2.76 mmol) in dichloromethane (10 mL). After 30 minutes, dilute the reaction mixture with dichloromethane and extract five times with water. Dry the organic layer over Na2SO4, filter, and concentrate in vacuo to give methyl 2-methoxy-5-isothiocyanatobenzoate: Rf=0.51 (silica gel, dichloromethane).
	In dichloromethane;	Treat a solution of 5-amino-2-methoxy-benzoic acid methyl ester (7.70 g, 42.5 mmol) and dichloromethane (50 mL) portionwise with a solution of di-2-pyridyl thionocarbonate (10.0 g, 43.1 mmol; Aldrich Chemical Company) and dichloromethane (70 mL) at room temperature under an argon atmosphere. After 3.5 hours, concentrate in vacuo and purify the residue by flash chromatography (silica gel, 5.5*17.8 cm) eluding with dichloromethane. Combine the appropriate fractions and concentrate to afford 5-isothiocyanato-2-methoxy-benzoic acid methyl ester (6,,9 g).
	In dichloromethane;	PREPARATION 32.1 2-Methoxy-5-(5-methylsulfonyl-1H-tetrazol-1-yl)benzoic acid According to the method of Tet. Let., 26, 1661 (1985), combine <strong>[22802-67-1]methyl 2-methoxy-5-aminobenzoate</strong> (0.5 g, 2.76 mmol) and di-2-pyridyl thionocarbonate (0.64 g, 2.76 mmol) in dichloromethane (10 mL). After 30 minutes, dilute the reaction mixture with dichloromethane and extract five times with water. Dry the organic layer over Na2SO4, filter, and concentrate in vacuo to give methyl 2-methoxy-5-isothiocyanatobenzoate: Rf=0.51 (silica gel, dichloromethane).

	In dichloromethane;	Treat a solution of 5-amino-2-methoxy-benzoic acid methyl ester (7.70 g, 42.5 mmol) and dichloromethane (50 mL) portionwise with a solution of di-2-pyridyl thionocarbonate (10.0 g, 43.1 mmol; Aldrich Chemical Company) and dichloromethane (70 mL) at room temperature under an argon atmosphere. After 3.5 hours, concentrate in vacuo and purify the residue by flash chromatography (silica gel, 5.5*17.8 cm) eluding with dichloromethane. Combine the appropriate fractions and concentrate to afford 5-isothiocyanato-2-methoxy-benzoic acid methyl ester (6.9 g).
	In dichloromethane;	Preparation 32.1 2-Methoxy-5-(5-methylsulfonyl-1H-tetrazol-1-yl)benzoic Acid According to the method of Tet. Let., 26, 1661 (1985), combine <strong>[22802-67-1]methyl 2-methoxy-5-aminobenzoate</strong> (0.5 g, 2.76 mmol) and di-2-pyridyl thionocarbonate (0.64 g, 2.76 mmol) in dichloromethane (10 mL). After 30 minutes, dilute the reaction mixture with dichloromethane and extract five times with water. Dry the organic layer over Na2SO4, filter, and concentrate in vacuo to give methyl 2-methoxy-5-isothiocyanatobenzoate: Rf=0.51 (silica gel, dichloromethane).
	In dichloromethane;	PREPARATION 32 2-Methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoic acid According to the method of Tet. Let., 26, 1661 (1985), combine <strong>[22802-67-1]methyl 2-methoxy-5-aminobenzoate</strong> (0.5 g, 2.76 mmol) and di-2-pyridyl thionocarbonate (0.64 g, 2.76 mmol) in dichloromethane (10 mL). After 30 minutes, dilute the reaction mixture with dichloromethane and extract five times with water. Dry the organic layer over Na2SO4, filter, and concentrate in vacuo to give methyl 2-methoxy-5-thioisocyanatobenzoate: Rf=0.51 (silica gel, dichloromethane).

Reference： [1]Patent: US2001/34343,2001,A1
[2]Patent: US2001/34343,2001,A1
[3]Patent: US6423704,2002,B1
[4]Patent: US6423704,2002,B1
[5]Patent: US6194406,2001,B1
[6]Patent: US6211199,2001,B1

3
[ 123-75-1 ]
[ 29022-11-5 ]
[ 71989-31-6 ]
[ 71989-14-5 ]
[ 96989-50-3 ]
[ 64-19-7 ]
Nα-Fmoc-Nδ-(methyltrityl)-L-ornithine [ No CAS ]
[ 147290-11-7 ]
[ 1279698-76-8 ]