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Name	Thiazolium,3-(2-oxo-2-phenylethyl)-, bromide (1:1)	EINECS	N/A
CAS No.	5304-34-7	Density	N/A
PSA	49.19000	LogP	-1.07750
Solubility	N/A	Melting Point	N/A
Formula	C₁₁H₁₀BrNOS	Boiling Point	N/A
Molecular Weight	284.176	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety	24/25	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	3-Phenacylthiazoliumbromide (7CI);Thiazolium, 3-(2-oxo-2-phenylethyl)-, bromide (9CI);Thiazolium,3-phenacyl-, bromide (8CI);N-Phenacylthiazolium bromide;	Article Data	9

Thiazolium,3-(2-oxo-2-phenylethyl)-, bromide (1:1) Synthetic route

: 288-47-1
1,3-thiazole

: 70-11-1
α-bromoacetophenone

: 5304-34-7
2-(3-thiazolium)-1-phenylethanone bromide

Conditions

Conditions	Yield
In methanol for 3h; Reflux; Inert atmosphere;	51%
In benzene for 4h; Heating;	42%

: 1631-28-3
N-p-tolylphenylmaleimide

: 5304-34-7
2-(3-thiazolium)-1-phenylethanone bromide

: (5S,5aS,8aS,8bR)-5-Benzoyl-7-p-tolyl-5,5a,8a,8b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-b]thiazole-6,8-dione

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 0.166667h; Ambient temperature;	97%

: 15104-20-8
3-(2,3-diphenyl-2-cyclopropenylidene)-2,4-pentanedione

: 5304-34-7
2-(3-thiazolium)-1-phenylethanone bromide

: 82735-59-9
C31H25NO3S

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran 1.) rt, 2 h; 2) reflux, 2 h;	93%

: 5304-34-7
2-(3-thiazolium)-1-phenylethanone bromide

: 3-(2-Hydroxy-2-phenyl-ethyl)-thiazol-3-ium; bromide

Conditions

Conditions	Yield
With sodium tetrahydroborate In water Ambient temperature;	76%

: 5304-34-7
2-(3-thiazolium)-1-phenylethanone bromide

: 624-49-7
dimethylfumarate

: (5R,6R,7S,7aS)-5-Benzoyl-5,6,7,7a-tetrahydro-pyrrolo[2,1-b]thiazole-6,7-dicarboxylic acid dimethyl ester

: (5R,6S,7R,7aS)-5-Benzoyl-5,6,7,7a-tetrahydro-pyrrolo[2,1-b]thiazole-6,7-dicarboxylic acid dimethyl ester

Conditions

Conditions	Yield
With triethylamine In chloroform for 0.166667h; Ambient temperature; Title compound not separated from byproducts;	A 50% B 50%

: 14802-30-3
(E)-1-(4-methylphenyl)-3-phenyl-2-propen-1-one

: 5304-34-7
2-(3-thiazolium)-1-phenylethanone bromide

: ((5R,6R,7R,7aR)-5-Benzoyl-6-phenyl-5,6,7,7a-tetrahydro-pyrrolo[2,1-b]thiazol-7-yl)-p-tolyl-methanone

Conditions

Conditions	Yield
With triethylamine CHCl3, r.t., 14 h; Yield given. Multistep reaction;

: 5304-34-7
2-(3-thiazolium)-1-phenylethanone bromide

: 78-98-8
2-oxopropanal

: 5-benzoyl-6,7-dihydroxy-7-methyl-6,7-dihydro-5H-pyrrolo[2,1-b]thiazol-4-ylium

Conditions

Conditions	Yield
With phosphate buffer In water at 37℃; for 24h; pH=7.4;

: 5304-34-7
2-(3-thiazolium)-1-phenylethanone bromide

: 3-((E)-Styryl)-thiazol-3-ium; bromide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 76 percent / NaBH4 / H2O / Ambient temperature 2: 73 percent / benzoyl chloride / 190 - 200 °C View Scheme

: 5304-34-7
2-(3-thiazolium)-1-phenylethanone bromide

: Thiazolo[2,3-a]isoquinolin-4-ylium; bromide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 76 percent / NaBH4 / H2O / Ambient temperature 2: 73 percent / benzoyl chloride / 190 - 200 °C 3: I2 / methanol / Ambient temperature; Irradiation View Scheme

Thiazolium,3-(2-oxo-2-phenylethyl)-, bromide (1:1) Specification

The Thiazolium,3-(2-oxo-2-phenylethyl)-, bromide (1:1), with the CAS registry number 5304-34-7, is also known as N-Phenacylthiazolium bromide. This chemical's molecular formula is C₁₁H₁₀BrNOS and molecular weight is 284.17. Its systematic name is called 3-(2-oxo-2-phenylethyl)-1,3-thiazol-3-ium bromide.

Physical properties of Thiazolium,3-(2-oxo-2-phenylethyl)-, bromide (1:1): (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 49.19 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].O=C(c1ccccc1)C[n+]2ccsc2
(2)InChI: InChI=1/C11H10NOS.BrH/c13-11(8-12-6-7-14-9-12)10-4-2-1-3-5-10;/h1-7,9H,8H2;1H/q+1;/p-1
(3)InChIKey: CEAFABGKSOIJLH-REWHXWOFAC

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