Product Name

  • Name

    ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate

  • EINECS -0
  • CAS No. 161798-01-2
  • Article Data16
  • CAS DataBase
  • Density 1.335 g/cm3
  • Solubility
  • Melting Point 116 °C
  • Formula C14H13NO4S
  • Boiling Point 446.7 °C at 760 mmHg
  • Molecular Weight 291.328
  • Flash Point 223.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 161798-01-2 (ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate)
  • Hazard Symbols
  • Synonyms Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;
  • PSA 104.73000
  • LogP 2.81330

Synthetic route

(2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester)
161797-99-5

(2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester)

N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

Conditions
ConditionsYield
Stage #1: (2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester) With n-butyllithium In tetrahydrofuran; hexane at -10℃; for 0.2h; Inert atmosphere;
Stage #2: N,N-dimethyl-formamide In tetrahydrofuran; hexane at -10℃; for 0.5h; Inert atmosphere;
Stage #3: With acetic acid In tetrahydrofuran; hexane at 10℃; for 0.166667h; Time; Inert atmosphere;		96.6%
(2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester)
161797-99-5

(2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester)

hexamethylenetetramine
100-97-0

hexamethylenetetramine

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

Conditions
ConditionsYield
With methanesulfonic acid; boric acid In cyclohexane at 75 - 100℃; for 7h; Temperature; Reagent/catalyst; Solvent; Duff Aldehyde Synthesis;91.2%
Stage #1: (2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester) With methanesulfonic acid; boric acid In cyclohexane at 80℃;
Stage #2: hexamethylenetetramine In cyclohexane at 75℃; for 7h; Temperature;		91.2%
With water; acetic acid; trifluoroacetic acid at 100℃; for 2.5h;90%
ethyl 2-bromoacetoacetate
84911-18-2, 609-13-2

ethyl 2-bromoacetoacetate

hexamethylenetetramine
100-97-0

hexamethylenetetramine

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

Conditions
ConditionsYield
With trifluoroacetic acid for 20h; Reflux;80%
hexamethylenetetramine
100-97-0

hexamethylenetetramine

2-(4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylic acid ethyl ester hydrochloride

2-(4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylic acid ethyl ester hydrochloride

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

Conditions
ConditionsYield
With phosphoric acid at 70 - 95℃;75.2%
(2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester)
161797-99-5

(2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester)

acetic acid
64-19-7

acetic acid

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

Conditions
ConditionsYield
Stage #1: (2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester); acetic acid With hexamethylenetetramine at 90℃; for 12h;
Stage #2: With hydrogenchloride In water at 75℃; for 0.5h;		29%
With hydrogenchloride; hexamethylenetetramine In water at 90℃; for 12h;
ethyl 2-chloro-3-oxo-butyrate
609-15-4

ethyl 2-chloro-3-oxo-butyrate

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: spirit / 2.5 h / 60 - 65 °C
2: methanesulfonic acid / 10 h / 75 °C
View Scheme
Multi-step reaction with 2 steps
1.1: isopropyl alcohol / 25 - 85 °C
2.1: trifluoroacetic acid / 24 h / 80 °C
2.2: 0.17 h
View Scheme
4-hydroxythiobenzamide
25984-63-8

4-hydroxythiobenzamide

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: spirit / 2.5 h / 60 - 65 °C
2: methanesulfonic acid / 10 h / 75 °C
View Scheme
Multi-step reaction with 2 steps
1.1: isopropyl alcohol / 25 - 85 °C
2.1: trifluoroacetic acid / 24 h / 80 °C
2.2: 0.17 h
View Scheme
Multi-step reaction with 2 steps
1: ethanol / Reflux
2: phosphorus pentoxide
View Scheme
C8H11ClO4

C8H11ClO4

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: isopropyl alcohol / 75 °C
2.1: PPA / 75 °C
2.2: 20 °C
View Scheme
4-cyanophenol
767-00-0

4-cyanophenol

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: tetraphosphorus decasulfide / ethanol / 12 h / 70 °C
2.1: isopropyl alcohol / 3 h / 55 - 85 °C
3.1: hexamethylenetetramine / 12 h / 90 °C
3.2: 0.5 h / 75 °C
View Scheme
Multi-step reaction with 3 steps
1: polyphosphoric acid / water / 40 - 80 °C
2: phosphoric acid / water; ethanol / 30 - 80 °C
3: sulfuric acid / 60 - 120 °C
View Scheme
Multi-step reaction with 3 steps
1: sodium hydrogensulfide; magnesium chloride monohydrate / 3 h / 20 °C
2: PPA / 0.25 h / Microwave irradiation
3: magnesium chloride; triethylamine / tetrahydrofuran / 0.17 h / Microwave irradiation
View Scheme
(2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester)
161797-99-5

(2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester)

formaldehyd
50-00-0

formaldehyd

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

Conditions
ConditionsYield
With triethylamine; magnesium chloride In tetrahydrofuran for 0.166667h; Microwave irradiation;
ethyl 2-bromoacetoacetate
84911-18-2, 609-13-2

ethyl 2-bromoacetoacetate

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ethanol / 2 h / Reflux
2: water; trifluoroacetic acid; acetic acid / 2.5 h / 100 °C
View Scheme
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

ethyl-2-(3-cyano-4-hydroxy phenyl)-4-methyl thiozole-5-carboxylate
161798-02-3

ethyl-2-(3-cyano-4-hydroxy phenyl)-4-methyl thiozole-5-carboxylate

Conditions
ConditionsYield
Stage #1: ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate With hydroxylamine hydrochloride In N,N-dimethyl-formamide for 0.5h;
Stage #2: With acetyl chloride In N,N-dimethyl-formamide at 90℃;		99%
Stage #1: ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate With hydroxylamine hydrochloride In N,N-dimethyl-formamide for 0.5h;
Stage #2: With acetyl chloride In N,N-dimethyl-formamide at 90℃;		99%
With formic acid; hydroxylamine hydrochloride; sodium acetate at 100 - 105℃; for 10h;97.6%
Isobutyl bromide
78-77-3

Isobutyl bromide

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

febuxostat

febuxostat

Conditions
ConditionsYield
With potassium carbonate; N,N-dimethyl-formamide In toluene at 105℃; for 4h;98.71%
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

allyl bromide
106-95-6

allyl bromide

ethyl 2-[4-(allyloxy)-3-formylphenyl]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[4-(allyloxy)-3-formylphenyl]-4-methyl-1,3-thiazole-5-carboxylate

Conditions
ConditionsYield
With potassium carbonate In ethanol at 70℃; for 10h; regioselective reaction;97%
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

2-methylpropyl phenylphosphinate
13336-52-2

2-methylpropyl phenylphosphinate

C24H28NO6PS

C24H28NO6PS

Conditions
ConditionsYield
With N,N'-dimethylpiperazine In tetrahydrofuran at 60℃; for 3h;95%
2-amino-benzthiazole
136-95-8

2-amino-benzthiazole

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

C21H17N3O3S2

C21H17N3O3S2

Conditions
ConditionsYield
With acetic acid In methanol Reflux;95%
Isobutyl bromide
78-77-3

Isobutyl bromide

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

2-(3-formyl-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester
161798-03-4

2-(3-formyl-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 75 - 85℃; for 6h;94.7%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 8h;90%
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide90%
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

propyl phenyl-H-phosphinate
6911-99-5

propyl phenyl-H-phosphinate

C23H26NO6PS

C23H26NO6PS

Conditions
ConditionsYield
With N,N'-dimethylpiperazine In tetrahydrofuran at 60℃; for 3h;94%
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

isobutyl p-toluenesulfonate
4873-56-7

isobutyl p-toluenesulfonate

2-(3-formyl-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester
161798-03-4

2-(3-formyl-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 100 - 110℃; Temperature;92.7%
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

phosphonic acid diethyl ester
762-04-9

phosphonic acid diethyl ester

C18H24NO7PS

C18H24NO7PS

Conditions
ConditionsYield
With N,N'-dimethylpiperazine In tetrahydrofuran at 60℃; for 3h;92%
1-bromo-butane
109-65-9

1-bromo-butane

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

C18H21NO4S

C18H21NO4S

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 80 - 100℃; for 8h;92%
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

C9H11O3P

C9H11O3P

C23H24NO7PS

C23H24NO7PS

Conditions
ConditionsYield
With N,N'-dimethylpiperazine In tetrahydrofuran at 60℃; for 3h;91%
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

Dimethyl phosphite
868-85-9

Dimethyl phosphite

C16H20NO7PS

C16H20NO7PS

Conditions
ConditionsYield
With N,N'-dimethylpiperazine In tetrahydrofuran at 60℃; for 3h;89%
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

C13H12ClO2P

C13H12ClO2P

C27H25ClNO6PS

C27H25ClNO6PS

Conditions
ConditionsYield
With N,N'-dimethylpiperazine In tetrahydrofuran at 60℃; for 3h;89%
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

2-(2-bromoacetyl)-3H-benzo[f]chromen-3-one
88735-43-7

2-(2-bromoacetyl)-3H-benzo[f]chromen-3-one

thiosemicarbazide
79-19-6

thiosemicarbazide

ethyl 2-(4-hydroxy-3-((2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)hydrazono)methyl)phenyl)-4-methylthiazole-5-carboxylate

ethyl 2-(4-hydroxy-3-((2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)hydrazono)methyl)phenyl)-4-methylthiazole-5-carboxylate

Conditions
ConditionsYield
With acetic acid In ethanol for 3h; Reflux; Green chemistry;87%
...Expand
diphenyl hydrogen phosphite
4712-55-4

diphenyl hydrogen phosphite

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

C26H24NO7PS

C26H24NO7PS

Conditions
ConditionsYield
With N,N'-dimethylpiperazine In tetrahydrofuran at 60℃; for 3h;86%
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

C13H12NO4P

C13H12NO4P

C27H25N2O8PS

C27H25N2O8PS

Conditions
ConditionsYield
With N,N'-dimethylpiperazine In tetrahydrofuran at 60℃; for 3h;86%
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

thiosemicarbazide
79-19-6

thiosemicarbazide

para-bromophenacyl bromide
99-73-0

para-bromophenacyl bromide

ethyl 2-(3-((2-(4-(4-bromophenyl)thiazol-2-yl)hydrazono)methyl)-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

ethyl 2-(3-((2-(4-(4-bromophenyl)thiazol-2-yl)hydrazono)methyl)-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

Conditions
ConditionsYield
With acetic acid In ethanol for 3h; Reflux; Green chemistry;86%
...Expand
isobutyl methanesulfonate
16156-53-9

isobutyl methanesulfonate

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

2-(3-formyl-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester
161798-03-4

2-(3-formyl-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 95 - 100℃; Temperature;85.5%
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

thiosemicarbazide
79-19-6

thiosemicarbazide

4-chlorobenzoylmethyl bromide
536-38-9

4-chlorobenzoylmethyl bromide

ethyl 2-(3-((2-(4-(4-chlorophenyl)thiazol-2-yl)hydrazono)methyl)-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

ethyl 2-(3-((2-(4-(4-chlorophenyl)thiazol-2-yl)hydrazono)methyl)-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

Conditions
ConditionsYield
With acetic acid In ethanol for 3h; Reflux; Green chemistry;85%
...Expand
3-bromoacetylcoumarin
29310-88-1

3-bromoacetylcoumarin

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

thiosemicarbazide
79-19-6

thiosemicarbazide

ethyl 2-(4-hydroxy-3-((2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)hydrazono)methyl)phenyl)-4-methylthiazole-5-carboxylate

ethyl 2-(4-hydroxy-3-((2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)hydrazono)methyl)phenyl)-4-methylthiazole-5-carboxylate

Conditions
ConditionsYield
With acetic acid In ethanol for 3h; Reflux; Green chemistry;85%
...Expand
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

isobutyl benzenesulfonate
24698-43-9

isobutyl benzenesulfonate

2-(3-formyl-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester
161798-03-4

2-(3-formyl-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 95 - 100℃;84.4%
Isobutyl bromide
78-77-3

Isobutyl bromide

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

2-(3-cyano-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester
160844-75-7

2-(3-cyano-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
Stage #1: ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate With hydroxylamine hydrochloride In dimethyl sulfoxide at 40℃; for 0.5h;
Stage #2: With acetyl chloride In dimethyl sulfoxide at 70 - 80℃;
Stage #3: Isobutyl bromide With potassium carbonate In dimethyl sulfoxide at 20 - 80℃;		84%
Stage #1: ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate With hydroxylamine hydrochloride In dimethyl sulfoxide for 0.5h;
Stage #2: With acetyl chloride In dimethyl sulfoxide at 70 - 80℃;
Stage #3: Isobutyl bromide With potassium carbonate In dimethyl sulfoxide at 70 - 80℃; for 5h;		84%
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

p-benzoquinone
106-51-4

p-benzoquinone

ethyl 2-(5,8-dihydroxy-9-oxo-9H-xanthen-2-yl)-4-methylthiazole-5-carboxylate

ethyl 2-(5,8-dihydroxy-9-oxo-9H-xanthen-2-yl)-4-methylthiazole-5-carboxylate

Conditions
ConditionsYield
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate In 1,2-dichloro-ethane at 90℃; for 16h;84%
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

thiosemicarbazide
79-19-6

thiosemicarbazide

α-bromoacetophenone
70-11-1

α-bromoacetophenone

ethyl 2-(4-hydroxy-3-((2-(4-phenylthiazol-2-yl)hydrazono)methyl)phenyl)-4-methylthiazole-5-carboxylate

ethyl 2-(4-hydroxy-3-((2-(4-phenylthiazol-2-yl)hydrazono)methyl)phenyl)-4-methylthiazole-5-carboxylate

Conditions
ConditionsYield
With acetic acid In ethanol for 2h; Reflux; Green chemistry;83%
...Expand
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

ethyl Phenylphosphinate
172487-18-2

ethyl Phenylphosphinate

C22H24NO6PS

C22H24NO6PS

Conditions
ConditionsYield
With N,N'-dimethylpiperazine In tetrahydrofuran at 60℃; for 3h;81%
ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

4-Nitrophenacyl bromide
99-81-0

4-Nitrophenacyl bromide

thiosemicarbazide
79-19-6

thiosemicarbazide

ethyl 2-(3-((2-(4-(4-nitrophenyl)thiazol-2-yl)hydrazono)methyl)-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

ethyl 2-(3-((2-(4-(4-nitrophenyl)thiazol-2-yl)hydrazono)methyl)-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

Conditions
ConditionsYield
With acetic acid In ethanol for 4h; Reflux; Green chemistry;80%
...Expand
dibutyl hydrogen phosphite
1809-19-4

dibutyl hydrogen phosphite

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate
161798-01-2

ethyl 2‐(3‐formyl‐4‐hydroxyphenyl)‐4‐methylthiazole‐5‐carboxylate

C22H32NO7PS

C22H32NO7PS

Conditions
ConditionsYield
With N,N'-dimethylpiperazine In tetrahydrofuran at 60℃; for 3h;78%

Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate Specification

The systematic name of Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate is 5-thiazolecarboxylic acid, 2-(3-formyl-4-hydroxyphenyl)-4-methyl-, ethyl ester. With the CAS registry number 161798-01-2, it is also named as Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate. In addition, its molecular formula is C14H13NO4S and its molecular weight is 291.32.

The other characteristics of Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate can be summarized as: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.21; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 920.58; (6)ACD/BCF (pH 7.4): 130.86; (7)ACD/KOC (pH 5.5): 4501.37; (8)ACD/KOC (pH 7.4): 639.88; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 104.73 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 77.18 cm3; (15)Molar Volume: 218.1 cm3; (16)Polarizability: 30.59×10-24cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.335 g/cm3; (19)Flash Point: 223.9 °C; (20)Enthalpy of Vaporization: 73.2 kJ/mol; (21)Boiling Point: 446.7 °C at 760 mmHg; (22)Vapour Pressure: 1.36E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CCOC(=O)c1c(nc(s1)c2ccc(c(c2)C=O)O)C
(2)InChI: InChI=1/C14H13NO4S/c1-3-19-14(18)12-8(2)15-13(20-12)9-4-5-11(17)10(6-9)7-16/h4-7,17H,3H2,1-2H3
(3)InChIKey: NJRGQNNSIAFIJC-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C14H13NO4S/c1-3-19-14(18)12-8(2)15-13(20-12)9-4-5-11(17)10(6-9)7-16/h4-7,17H,3H2,1-2H3
(5)Std. InChIKey: NJRGQNNSIAFIJC-UHFFFAOYSA-N

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