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Cas Database

94147-79-2

94147-79-2

Identification

  • Product Name:3-Pentanone, 2-(4-chlorophenyl)-2-hydroxy-4-methyl-1-(1H-1,2,4-triazol-1-yl)-

  • CAS Number: 94147-79-2

  • EINECS:

  • Molecular Weight:293.753

  • Molecular Formula: C14H16ClN3O2

  • HS Code:

  • Mol File:94147-79-2.mol

Synonyms:

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Relevant articles and documentsAll total 1 Articles be found

Synthesis and oral antifungal activity of novel azolylpropanolones and related compounds

Ogata,Matsumoto,Takahashi,Shimizu,Kida,Murabayashi,Shiro,Tawara

, p. 1054 - 1068 (2007/10/02)

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Process route upstream and downstream products

Process route

(4-chlorobenzyl) isopropyl ketone
65248-53-5

(4-chlorobenzyl) isopropyl ketone

2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one
94147-79-2

2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one

Conditions
Conditions Yield
Multi-step reaction with 3 steps
1: acetic anhydride / 0.25 h / Ambient temperature
2: 10percent aq. NaOH, 30 percent aq. H2O2 / acetone / 0.5 h / Ambient temperature
3: 1.) NaH / 1.) DMF, RT, 5 min, 2.) RMF, 50 deg C, 17 h
With sodium hydroxide; dihydrogen peroxide; sodium hydride; In acetic anhydride; acetone;
2-(4-Chloro-phenyl)-4-methyl-pent-1-en-3-one
105956-31-8

2-(4-Chloro-phenyl)-4-methyl-pent-1-en-3-one

2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one
94147-79-2

2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: 10percent aq. NaOH, 30 percent aq. H2O2 / acetone / 0.5 h / Ambient temperature
2: 1.) NaH / 1.) DMF, RT, 5 min, 2.) RMF, 50 deg C, 17 h
With sodium hydroxide; dihydrogen peroxide; sodium hydride; In acetone;
2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one
94147-79-2

2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one

(2S,3R)-2-(4-Chloro-phenyl)-4-methyl-1-[1,2,4]triazol-1-yl-pentane-2,3-diol
107659-56-3

(2S,3R)-2-(4-Chloro-phenyl)-4-methyl-1-[1,2,4]triazol-1-yl-pentane-2,3-diol

(2S,3S)-2-(4-Chloro-phenyl)-4-methyl-1-[1,2,4]triazol-1-yl-pentane-2,3-diol
107659-57-4

(2S,3S)-2-(4-Chloro-phenyl)-4-methyl-1-[1,2,4]triazol-1-yl-pentane-2,3-diol

Conditions
Conditions Yield
With sodium tetrahydroborate; In ethanol; for 1h; Ambient temperature;
18%
28%
2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one
94147-79-2

2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one

1-[(4R,5R)-4-(4-Chloro-phenyl)-5-isopropyl-[1,3]dioxolan-4-ylmethyl]-1H-[1,2,4]triazole
96223-62-0,96223-63-1,107679-89-0

1-[(4R,5R)-4-(4-Chloro-phenyl)-5-isopropyl-[1,3]dioxolan-4-ylmethyl]-1H-[1,2,4]triazole

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: 28 percent / NaBH4 / ethanol / 1 h / Ambient temperature
2: 1.) NaH / 1.) DMF, RT, 5 min, 2.) DMF, 50 deg C, 1 h
With sodium tetrahydroborate; sodium hydride; In ethanol;
2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one
94147-79-2

2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one

1-[(4R,5S)-4-(4-Chloro-phenyl)-5-isopropyl-[1,3]dioxolan-4-ylmethyl]-1H-[1,2,4]triazole
107679-89-0

1-[(4R,5S)-4-(4-Chloro-phenyl)-5-isopropyl-[1,3]dioxolan-4-ylmethyl]-1H-[1,2,4]triazole

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: 28 percent / NaBH4 / ethanol / 1 h / Ambient temperature
2: 1.) NaH / 1.) DMF, RT, 5 min, 2.) DMF, 50 deg C, 1 h
With sodium tetrahydroborate; sodium hydride; In ethanol;
2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one
94147-79-2

2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one

(4R,5R)-4-(4-Chloro-phenyl)-5-isopropyl-4-[1,2,4]triazol-1-ylmethyl-[1,3]dioxolan-2-one
107659-84-7

(4R,5R)-4-(4-Chloro-phenyl)-5-isopropyl-4-[1,2,4]triazol-1-ylmethyl-[1,3]dioxolan-2-one

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: 18 percent / NaBH4 / ethanol / 1 h / Ambient temperature
2: 82 percent / CH2Cl2 / 1 h / Heating
With sodium tetrahydroborate; In ethanol; dichloromethane;
2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one
94147-79-2

2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one

(4R,5S)-4-(4-Chloro-phenyl)-5-isopropyl-4-[1,2,4]triazol-1-ylmethyl-[1,3]dioxolan-2-one
107659-83-6

(4R,5S)-4-(4-Chloro-phenyl)-5-isopropyl-4-[1,2,4]triazol-1-ylmethyl-[1,3]dioxolan-2-one

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: 28 percent / NaBH4 / ethanol / 1 h / Ambient temperature
2: 52 percent / CH2Cl2 / 1 h / Heating
With sodium tetrahydroborate; In ethanol; dichloromethane;
2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one
94147-79-2

2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one

1-[(4R,5R)-4-(4-Chloro-phenyl)-5-isopropyl-2-oxo-2λ<sup>4</sup>-[1,3,2]dioxathiolan-4-ylmethyl]-1H-[1,2,4]triazole
96223-56-2,107741-40-2,107741-41-3

1-[(4R,5R)-4-(4-Chloro-phenyl)-5-isopropyl-2-oxo-2λ4-[1,3,2]dioxathiolan-4-ylmethyl]-1H-[1,2,4]triazole

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: 28 percent / NaBH4 / ethanol / 1 h / Ambient temperature
2: 20 percent / SOCl2, Et3N / CHCl3 / 0.5 h / Ambient temperature
With sodium tetrahydroborate; thionyl chloride; triethylamine; In ethanol; chloroform;
2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one
94147-79-2

2-(4-Chloro-phenyl)-2-hydroxy-4-methyl-1-[1,2,4]triazol-1-yl-pentan-3-one

1-[(4R,5S)-4-(4-Chloro-phenyl)-5-isopropyl-2-oxo-2λ<sup>4</sup>-[1,3,2]dioxathiolan-4-ylmethyl]-1H-[1,2,4]triazole
96223-56-2,107741-40-2,107741-41-3

1-[(4R,5S)-4-(4-Chloro-phenyl)-5-isopropyl-2-oxo-2λ4-[1,3,2]dioxathiolan-4-ylmethyl]-1H-[1,2,4]triazole

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: 28 percent / NaBH4 / ethanol / 1 h / Ambient temperature
2: 23 percent / SOCl2, Et3N / CHCl3 / 0.5 h / Ambient temperature
With sodium tetrahydroborate; thionyl chloride; triethylamine; In ethanol; chloroform;

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