29886-63-3|3-(Thiophen-2-yl)benzoic acid| Ambeed

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Quality Control of [ 29886-63-3 ] Purity: 97% SDS Specification

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Product Details of [ 29886-63-3 ]

CAS No. :	29886-63-3
Formula :	C₁₁H₈O₂S
M.W :	204.25
SMILES Code :	O=C(O)C1=CC=CC(C2=CC=CS2)=C1
MDL No. :	MFCD03783346
InChI Key :	SEIZFGIUKSSIJJ-UHFFFAOYSA-N
Pubchem ID :	736861

Safety of [ 29886-63-3 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Application In Synthesis of [ 29886-63-3 ]

* 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 [ 29886-63-3 ]

[ 29886-63-3 ] Synthesis Path-Downstream 1~25

1
[ 54663-78-4 ]
[ 618-51-9 ]
[ 29886-63-3 ]

References: [1]Tetrahedron Letters,1998,vol. 39,p. 4175 - 4178.

3
[ 333793-36-5 ]
[ 29886-63-3 ]
[ 333793-51-4 ]

Yield	Reaction Conditions	Operation in experiment
62.6%	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; for 24.0h;	To a suspension of 3-(2-thienyl)benzoic acid (103 mg) and 3-(4,5-dimethylimidazol-1-yl)aniline (94 mg) in dichloromethane (2 ml) were added 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (135 mg) and 4-dimethylaminopyridine (31 mg), and the mixture was stirred for 24 hours.. The mixture was diluted with dichloromethane and washed with water and brine.. The mixture was dried over magnesium sulfate and evaporated under reduced pressure.. The residue was triturated with methanol, and the insoluble material was collected by filtration and dried to give N-[3-(4,5-dimethylimidazol-1-yl)-phenyl]-3-(2-thienyl)benzamide (117 mg, 62.6%). APCI-mass m/z: 374 (M+1) NMR DMSO-d6, delta) ; 2.12 (6H, s), 7.1-7.3 (2H, m), 7.52 (1H, t, J=8.0 Hz), 7.6-7.8 (4H, m), 7.8-8.0 (4H, m), 8.18 (1H, s), 10.57 (1H, s).

References: [1]Patent: US6770667,2004,B1 .Location in patent: Page column 19.

4
[ 17595-85-6 ]
[ 29886-63-3 ]

Yield	Reaction Conditions	Operation in experiment
93.4%	With sodium hydroxide; water; In tetrahydrofuran; methanol; at 60℃; for 2.0h;	To a solution of 2-(3-methoxycarbonylphenyl)thiophene (1.29 g) in methanol (15 ml) and tetrahydrofuran (5 ml) was added an aqueous solution of sodium hydroxide (1N, 8.87 ml) followed by stirring for 2 hours at 60 C. To the mixture was added hydrochloric acid (1N, 10 ml).. The resulting precipitate was collected by filtration and dried to give 2-(3-carboxyphenyl)thiophene (1.13 g, 93.4%).NMR (DMSO-d6, delta): 7.17 (1H, t, J=4.4 Hz), 7.5-7.7(3H, m), 7.87 (1H, d, J=7.8 Hz), 7.93 (1H, d, J=7.8 Hz), 8.15 (1H, s), 13.19 (1H, broad s) ESI-Mass m/z: 203 (M-1).

References: [1]Patent: US6770667,2004,B1 .Location in patent: Page column 9.

5
[ 29886-63-3 ]
C₁₁H₇ClOS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With oxalyl dichloride;N,N-dimethyl-formamide; In dichloromethane; for 1.0h;	To a suspension of 3-(2-thienyl)benzoic acid (102 mg) and oxalyl chloride (0.2 ml) in dichloromethane (2 ml) was added N,N-dimethylformamide (0.01 ml), and the mixture was stirred for an hour.. The resultant solution was evaporated to give a crude acid chloride.. To a suspension of 3-(1,2-dimethylimidazol-5-yl)aniline (94 mg) and pyridine (0.12 ml) in dichloromethane (2 ml) was dropwise added a solution of the acid chloride obtained above in dichloromethane (2 ml), and the mixture was stirred for 12 hours.. The mixture was diluted with dichloromethane and washed with an aqueous solution of sodium hydrogen carbonate and brine.. The separated organic layer was dried over sodium sulfate and evaporated under reduced pressure.. The residue was purified with a silica gel column chromatography eluding with 3% methanol in dichloromethane to give N-[3-(2,3-dimethyl-3H-idazol-4-yl)-phenyl]-3-(thiophen-2-yl)benzamide (140 mg, 74.9%).NMR (DMSO-d6, delta): 2.36 (3H,s), 3.59 (3H, s), 6.89 (1H, s), 7.1-7.3 (2H, m), 7.44 (1H, t, J=7.9 Hz), 7.6-7.8 (3H, m), 7.79 (1H, d, J=8.0 Hz), 7.8-8.0 (3H, m), 8.19 (1H, s), 10.45 (1H, s) APCI-Mass m/z: 374 (M+1).

References: [1]Patent: US6770667,2004,B1 .Location in patent: Page column 9.

6
[ 29886-63-3 ]
[ 1227075-86-6 ]
[ 1187065-46-8 ]

References: [1]Chemical Communications,2009,p. 4097 - 4099.

7
[ 29886-63-3 ]
piperidine-3-carboxylic acid (4-chloro-phenyl)-amide [ No CAS ]
[ 1443438-20-7 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 3826 - 3832.

8
[ 29886-63-3 ]
N-(4-chlorophenyl)piperidine-3-carboxamide trifluoroacetate [ No CAS ]
[ 1443438-20-7 ]

Yield	Reaction Conditions	Operation in experiment
87%	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20℃;	To a solution of N-(4-chlorophenyl)piperidine-3-carboxamide (57 mg, 0.24 mmol) in tetrahydrofuran (2 ml) was added <strong>[29886-63-3]3-(thiophen-2-yl)benzoic acid</strong> (60 mg, 0.29 mmol) followed by N,N-diisopropylethylamine (0.064 ml, 0.37 mmol), 3- (((ethylimino)methylene)amino)-N,N-dimethylpropan- 1-amine hydrochloride (70 mg, 0.37 mmol), and N,N-dimethylpyridin-4-amine (3.0 mg, 0.024 mmol). The reaction stuffed at room temperature overnight. The reaction was poured into dichloromethane and washed with saturated aqueous sodium bicarbonate solution and brine. The organic layer was dried over magnesium sulfate, filtered, and concentrated. The crude residue was purified by column chromatography eluting with 40-60% ethyl acetate in hexanes to afford the title compound as an amorphous white solid (90 mg, 87%). ?H NMR (400 MHz, CDC13)(Rotamers) oe 9.25, 8.12, 7.64, 7.41, 7.24, 7.08, 4.60, 4.16, 3.95, 3.55, 3.43, 2.88, 2.68, 2.49, 2.23, 1.92, 1.60,1.51.

References: [1]Patent: WO2016/73847,2016,A2 .Location in patent: Paragraph 00169.

9
[ 6165-68-0 ]
[ 618-51-9 ]
[ 29886-63-3 ]

References: [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 10994 - 11005.

10
[ 29886-63-3 ]
4-(4-hydroxy-2-methoxytetrahydro-2H-pyran-2-yl)-3-(4-methoxybenzyl)thiazolidin-2-one [ No CAS ]
2-methoxy-2-((R)-3-(4-methoxybenzyl)-2-oxothiazolidin-4-yl)-tetrahydro-2H-pyran-4-yl 3-(thiophen-2-yl)benzoate [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 10994 - 11005.

11
[ 29886-63-3 ]
4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(3-(thiophen-2-yl)benzamido)benzamide [ No CAS ]