2362-63-2|3-Methylbenzothioamide| Ambeed

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Quality Control of [ 2362-63-2 ] Purity: 98% SDS Specification

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Product Details of [ 2362-63-2 ]

CAS No. :	2362-63-2
Formula :	C₈H₉NS
M.W :	151.23
SMILES Code :	S=C(N)C1=CC=CC(C)=C1
MDL No. :	MFCD01314035
InChI Key :	NUFFXGAGGYWFAV-UHFFFAOYSA-N
Pubchem ID :	736826

Safety of [ 2362-63-2 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 2362-63-2 ]

* 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 [ 2362-63-2 ]

[ 2362-63-2 ] Synthesis Path-Downstream 1~37

1
[ 2362-63-2 ]
[ 53515-22-3 ]
[ 23821-77-4 ]

References: [1]Journal of Medicinal Chemistry,1974,vol. 17,p. 1177 - 1181.

2
[ 620-22-4 ]
[ 2362-63-2 ]

Yield	Reaction Conditions	Operation in experiment
87%	With sodiumsulfide nonahydrate; In N,N-dimethyl-formamide; at 130℃; for 2.5h;	General procedure: Benzonitrile 1a (1 mmol), Na2S*9H2O (1.2 mmol) and DMF (1 mL) were added into a 10 mL bottle. The reactor was placed in a heating magnetic stirrer at 130 C. After 2.5 h, by adding about 3 mL H2O after the reaction to disperse the solid product, the reaction mixture was extracted with EtOAc (3 x 3 mL), and the mixture was purified by column chromatography.
	With sodium hydrogen sulfide; magnesium(II) chloride hexahydrate; In N,N-dimethyl-formamide; at 20℃; for 2h;	Synthesis of Intermediate (1)Molecular Weight: 117.15 (1 )Molecular Weight: 151.23[00457] In a 3-neck 100 mL round-bottomed flask, 3-methyl benzonitrile (4.0 g, 1 eq.) was mixed with DMF (48 mL, 13 Vol.), MgCl26H20 (7.0 g,1.0 eq.) and sodium thiol (5.05 g, 2.0 eq.). The reaction mixture was stirred at room temperature for 2 h. Reaction remained green colored clear solution throughout the reaction. Reaction completion was monitored on TLC using ethyl acetate: n-hexane (3:7) mobile phase. After 2 h reaction was completed and worked up. Reaction mixture was brought to room temperature and poured into water (100 mL) and compound was extracted in the ethylacetate (100 mL x 3). Organic layer was again washed with water (100 mL x 3) followed by drying using anhydrous sodium sulphate. Organic layer was concentrated under reduced pressure to afford 5.2 g of crude compound. Crude compound was carry forward in next step. Yield (95.0 %). Mass/LCMS: 152.0 Confirmed.

References: [1]Heterocycles,2018,vol. 96,p. 509 - 517.
[2]Il Farmaco,1999,vol. 54,p. 533 - 541.
[3]RSC Advances,2018,vol. 8,p. 170 - 175.
[4]Chemical and Pharmaceutical Bulletin,2005,vol. 53,p. 410 - 418.
[5]Canadian Journal of Chemistry,1977,vol. 55,p. 2331 - 2335.
[6]Journal of Heterocyclic Chemistry,1980,vol. 17,p. 819 - 821.
[7]Patent: WO2011/109799,2011,A1 .Location in patent: Page/Page column 171.
[8]Journal of the American Chemical Society,2015,vol. 137,p. 5670 - 5673.
[9]Medicinal Chemistry Research,2016,vol. 25,p. 2399 - 2409.
[10]Organic and Biomolecular Chemistry,2019,vol. 17,p. 7664 - 7668.
[11]European Journal of Organic Chemistry,2021,vol. 2021,p. 3398 - 3402.

3
[ 2362-63-2 ]
[ 35158-39-5 ]
[ 53514-97-9 ]

References: [1]Journal of Medicinal Chemistry,1974,vol. 17,p. 1177 - 1181.

4
[ 2362-63-2 ]
[ 609-15-4 ]
[ 54001-10-4 ]

Yield	Reaction Conditions	Operation in experiment
72%	In ethanol; at 0℃; for 16h;Reflux;	General procedure: A solution of 24a-f (1 equiv) and ethyl 2-chloroacetoacetate (1.2 equiv) in ethanol (25mL) was heated to reflux for 6h, then the mixture was allowed to stand at 0C for 10h, and a white needle crystal was precipitate out. The reaction mixture was filtered and the filter cake was washed with 10mL of ethanol, dried in vacuum to give the desired product.
68%	In ethanol; for 6h;Reflux;	General procedure: A solution of 5a-h (1 equiv) and ethyl 2-chloroacetoacetate (1.2 equiv) in ethanol (25mL) was heated to reflux for 6h, then the mixture was allowed to stand at 0C for 10h, and a white needle crystal was precipitate out. The reaction mixture was filtered and the filter cake was washed with ethanol (10mL), dried to give the title compounds.

References: [1]European Journal of Medicinal Chemistry,2017,vol. 138,p. 458 - 479.
[2]European Journal of Medicinal Chemistry,2019,vol. 164,p. 352 - 365.
[3]Justus Liebigs Annalen der Chemie,1974,p. 1195 - 1205.
[4]Bioorganic Chemistry,2021,vol. 114.

5
[ 2362-63-2 ]
[ 51132-00-4 ]
[ 250258-63-0 ]

References: [1]Il Farmaco,1999,vol. 54,p. 533 - 541.

6
[ 2362-63-2 ]
[ 673476-96-5 ]
[ 132089-33-9 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 3491 - 3495.

7
2-bromo-1-(3-methylphenyl)-2-(4-pyridyl)ethanone hydrobromide [ No CAS ]
[ 2362-63-2 ]
2-(3-methylphenyl)-4-(3-methylphenyl)-5-(4-pyridyl)-1,3-thiazole [ No CAS ]

References: [1]Chemical and Pharmaceutical Bulletin,2005,vol. 53,p. 410 - 418.

8
[ 2362-63-2 ]
[ 17229-00-4 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 3491 - 3495.

9
[ 2362-63-2 ]
4-isocyanato-2-m-tolyl-thiazole [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 3491 - 3495.

10
[ 2362-63-2 ]
2-m-tolyl-thiazole-4-carbonyl chloride [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 3491 - 3495.

11
[ 2362-63-2 ]
2-m-tolyl-thiazole-4-carbonyl azide [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 3491 - 3495.

12
[ 2362-63-2 ]
C₁₇H₁₅N₃O₂S [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 3491 - 3495.

13
[ 2362-63-2 ]
1-morpholin-4-yl-3-(2-m-tolyl-thiazol-4-yl)-urea [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 3491 - 3495.

14
[ 2362-63-2 ]
2-(2-m-tolyl-thiazol-4-yl)-ethylamine [ No CAS ]

References: [1]Il Farmaco,1999,vol. 54,p. 533 - 541.

15
[ 2362-63-2 ]
[ 75907-97-0 ]

References: [1]Journal of Heterocyclic Chemistry,1980,vol. 17,p. 819 - 821.

16
[ 2362-63-2 ]
[ 75907-87-8 ]

References: [1]Journal of Heterocyclic Chemistry,1980,vol. 17,p. 819 - 821.

17
[ 2362-63-2 ]
[ 54001-00-2 ]