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Quality Control of [ 1798-09-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1798-09-0 ]

SDS Specification

Alternatived Products of [ 1798-09-0 ]

Product Details of [ 1798-09-0 ]

CAS No. :	1798-09-0	MDL No. :	MFCD00004334
Formula :	C₉H₁₀O₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LEGPZHPSIPPYIO-UHFFFAOYSA-N
M.W :	166.17	Pubchem ID :	15719
Synonyms :	m-Methoxyphenylacetic acid

Safety of [ 1798-09-0 ]

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 [ 1798-09-0 ]

* 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 [ 1798-09-0 ]

[ 1798-09-0 ] Synthesis Path-Downstream 1~12

1
[ 64-17-5 ]
[ 1798-09-0 ]
[ 35553-92-5 ]

Yield	Reaction Conditions	Operation in experiment
97%	sulfuric acid;Heating / reflux;	(3-methoxy)phenylacetic acid (4.164 g, 25.06 mmol) was refluxed in EtOH in presence of catalytic amount of conc. H2SO4. The mixture was concentrated in vacuo, diluted with EtOAc, washed with saturated aqueous NaHCO3 and brine. It was dried over Na2SO4 and concentrated to give colorless oil (4.69 g, 97%).
93%	With sulfuric acid; for 6h;Reflux;	General procedure: Step 1: A mixture of appropriate carboxylic acid (1 equiv) in ethanol was refluxed for6 h in the presence of a catalytic amount of H2SO4. After the reaction was finished,the cooled mixture was concentrated in vacuo. The mixture was diluted with ethylacetate and washed with NaHCO3 1% aqueous solution (10 mlx3), and brine (10mlx3). The combined organic layers were dried over Na2SO4, and evaporated togive crude product. The pure crude product was used without further purification.
93%	With sulfuric acid; for 6h;Reflux;	General procedure: Step 1: A mixture of appropriate carboxylic acid (1 equiv) in ethanol was refluxed for6 h in the presence of a catalytic amount of H2SO4. After the reaction was finished,the cooled mixture was concentrated in vacuo. The mixture was diluted with ethylacetate and washed with NaHCO3 1% aqueous solution (10 mlx3), and brine (10mlx3). The combined organic layers were dried over Na2SO4, and evaporated togive crude product. The pure crude product was used without further purification.

81%	With sulfuric acid; at 0 - 70℃; for 2h;	To a stirred solution of 3-methoxy-2-phenylacetic acid (5 g, 30 mmol) in absolute ethanol (50 ml), sulfuric acid (0.3 ml) was added at 0 C and reaction mixture was refluxed at 70 C for 2 hours. Reaction progress was monitored by TLC. After completion of the reaction, ethanol was removed by evaporation under reduced pressure. Then reaction mixture was neutralized with saturated solution of sodium bicarbonate and extracted with DCM (2 x 15 ml), dried over anhydrous Na2S04 and concentrated under reduced pressure to afford the title compound (3.82 g, 81 %) as colorless liquid. LCMS: m/z = 195.26 [M+l].
81%	With sulfuric acid; at 70℃; for 2h;	[00149] To a stirred solution of 3-methoxy-2-phenylacetic acid (5 g, 30 mmol) in absolute ethanol (50 ml), sulfuric acid (0.3 ml) was added at 0 C and reaction mixture was refluxed at 70 C for 2 hours. Reaction progress was monitored by TLC. After completion of the reaction, ethanol was removed by evaporation under reduced pressure. Then reaction mixture was neutralized with saturated solution of sodium bicarbonate and extracted with DCM (2 x 15 ml), dried over anhydrous Na2SO4 and concentrated under reduced pressure to afford the title compound (3.82 g, 81 %) as colorless liquid. LCMS: m/z = 195.26 [M+1].
	With hydrogenchloride; In water monomer;Reflux;	To a solution of 3-methoxyphenylacetic acid (1 g, 6.02 mmol) in ethanol (10 mL) was added cHCl (5 drops) and the mixture heated at reflux overnight. The solvents were evaporated to give the target compound as a white solid. This compound was then dissolved in ethanol (10 mL) and hydrazine hydrate (5.86 mL, 120 mmol) was added and the mixture heated at reflux overnight. Solvents were evaporated and the product was purified by flash chromatography using a gradient mixture of ethyl acetate and hexanes to give the desire compound as a white solid (1.03 g, 94% over 2 steps). 1H NMR (CDCl3), δ 3.79 (s, 3H), 3.83 (s, 2H), 6.83 (m, 4H); MS m/z = 181.5 (M + H)+.
	With hydrogenchloride; In water monomer; for 18h;Reflux;	General procedure: To a stirred solution of carboxylic acid 11j-r (1 mmol) in EtOH(3 mL) was added conc. HCl (1 drop), and the resulting mixturewas refluxed for 18 h. After cooling, the solvent was removed, andthen the residue was added sat. NaHCO3 aq., and the aqueous mixturewas extracted with CH2Cl2. The organic extracts were driedover Na2SO4, and the solvent was removed to afford the correspondingethyl ester, which was used for the next reaction withoutfurther purification. To a stirred solution of ethyl ester (1 mmol),obtained above, in EtOH (0.5 mL) was added hydrazine monohydrate(0.05 mL, 1 mmol), and the resulting mixture was refluxedfor 18 h. The solvent was removed to give the corresponding acylhydrazide, which was used for the next reaction without furtherpurification. To a stirred solution of acylhydrazide, obtained above,in CH2Cl2 (1 mL) was added a solution of isothiocyanate 8a-h or10c, i (1 mmol) in CH2Cl2 (5 mL), and the resulting mixture was stirredat room temperature for 18 h. The insoluble solid was correctedby filtration, and dried to give acyl hydrazino thiourea 13A-U.

Reference： [1]Patent: US2007/244094,2007,A1 .Location in patent: Page/Page column 53-54
[2]Journal of Organic Chemistry,2001,vol. 66,p. 7818 - 7824
[3]Bioorganic Chemistry,2022,vol. 123
[4]Bioorganic Chemistry,2022,vol. 123
[5]Patent: WO2019/161162,2019,A1 .Location in patent: Paragraph 00104; 00164-00165
[6]Patent: WO2021/21893,2021,A1 .Location in patent: Paragraph 00147-00149
[7]Journal of the Chemical Society. Perkin transactions I,1985,p. 2677 - 2688
[8]Journal of the American Chemical Society,1949,vol. 71,p. 1922,1924
[9]Bulletin de la Societe Chimique de France,1972,p. 306 - 317
[10]Journal of Fluorine Chemistry,1990,vol. 49,p. 115 - 126
[11]Journal of Medicinal Chemistry,1988,vol. 31,p. 2015 - 2021
[12]Marine Drugs,2014,vol. 12,p. 1839 - 1858
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[14]Journal of the American Chemical Society,2021

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[ 104-53-0 ]
[ 931-53-3 ]
[ 1798-09-0 ]
[ 95753-55-2 ]
2-[1-carbamoyl-2-(4-nitro-phenyl)-ethyl]-[(3-methoxy-phenyl)-acetyl]-amino}-N-cyclohexyl-4-phenyl-butyramide [ No CAS ]