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39136-63-5

39136-63-5 Structure

39136-63-5 Structure
IdentificationBack Directory
[Name]

5-phenylthiazol-2-amine
[CAS]

39136-63-5
[Synonyms]

Einecs 254-312-9
2-AMino-5-phenylthiazol
5-phenylthiazol-2-amine
5-Phenyl-2-thiazolamine
5-Phenylthiazole-2-amine
2-Amino-5-phenylthiazole
2-Thiazolamine, 5-phenyl-
[EINECS(EC#)]

254-312-9
[Molecular Formula]

C9H8N2S
[MDL Number]

MFCD00022451
[MOL File]

39136-63-5.mol
[Molecular Weight]

176.24
Chemical PropertiesBack Directory
[Melting point ]

256-257℃
[Boiling point ]

363.4±11.0 °C(Predicted)
[density ]

1.261
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

4.63±0.10(Predicted)
[Appearance]

Light yellow to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2933399990
Hazard InformationBack Directory
[Chemical Properties]

Pale yellow powder
[Synthesis]

2-BROMO-2-PHENYLACETALDEHYDE

16927-13-2

Carbamimidothioic acid

17356-08-0

5-phenylthiazol-2-amine

39136-63-5

General procedure for the synthesis of 2-amino-5-phenylthiazole from 2-bromo-2-phenylacetaldehyde and compound (CAS: 17356-08-0): in Example 17, compound 16 (3.0 g, 15.05 mmol) was added to an ethanol suspension of thiourea (1.4 g, 18.10 mmol). The reaction mixture was heated to reflux for 8 hours. After completion of the reaction, it was cooled to room temperature and concentrated to remove the solvent. The residue was purified by column chromatography through a solvent mixture of dichloromethane (DCM) and methanol (MeOH) to afford the target product 17 as a yellow solid (2.3 g, 80% yield). The structure of the product was characterized by 1H NMR (400 MHz, DMSO-d6) and ESI-MS: 1H NMR δ 9.37 (broad single peak, 2H, NH2), 7.82 (single peak, 1H, Ar-H), 7.58-7.34 (multiple peaks, 6H, Ar-H); ESI-MS: (C9H8N2S) Calculated value 176, measured value 177 [M + H].

[References]

[1] Patent: WO2010/144394, 2010, A1. Location in patent: Page/Page column 69
[2] Patent: WO2010/144550, 2010, A1. Location in patent: Page/Page column 68
[3] Patent: WO2015/138895, 2015, A1. Location in patent: Paragraph 000319
[4] Patent: WO2008/144767, 2008, A1. Location in patent: Page/Page column 111
Spectrum DetailBack Directory
[Spectrum Detail]

5-phenylthiazol-2-amine(39136-63-5)1HNMR
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