(1E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol | CAS No. 76714-88-0
(1E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol
Basic Information
CAS Number
76714-88-0
Molecular Formula
C15H17Cl2N3O
Molecular Weight
326.23 g/mol
AD
Basic Physical Properties
Boiling Point
501.1ºC at 760 mmHg
Density
1.4192 (rough estimate)
Flash Point
256.8ºC
Refractive Index
1.5490 (estimate)
Synonyms & References
English
- Sumi-8
- Diniconazole
- Sumi
- Tox21_300887
- Spotless, Mixor
- 1H-1,2,4-Triazole-1-ethanol,b-[(2,4-dichlorophenyl)methylene]-a-(1,1-dimethylethyl)-, (bE)-
- DTXSID2040363
- (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
- (E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol
- SCHEMBL21284
- Sumi 8-12.5WP
- DTXCID0020363
- 1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (E)-
- 76714-88-0
- 1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-
- X82HVO1N83
- A840628
- Rac-diniconazole
- XE-779 L
- NCGC00254791-01
- (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
- 83657-24-3
- Q27157324
- NCGC00168303-01
- 70217-36-6
- CHEMBL135386
- Spotless
- (E)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl-1-penten-3-ol
- CAS-83657-24-3
- FBOUIAKEJMZPQG-AWNIVKPZSA-N
- SCHEMBL21286
MDL Number
MFCD01678675
FAQ
What are the physical and chemical properties of (1E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol (CAS: 76714-88-0)?
(1E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol is a white crystalline solid with a molecular weight of approximately 317.04 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and chloroform. The compound exhibits moderate reactivity, primarily towards nucleophilic substitution and addition reactions. It has a pKa of about 5 and is known for its stability under standard laboratory conditions.
How is (1E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol (CAS: 76714-88-0) typically synthesized?
(1E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol is synthesized via a multi-step process involving the coupling of 2,4-dichlorophenyl isocyanide with methyl 3-aminopentanoate followed by the reaction with 1,2,4-triazole. The reaction typically occurs in the presence of a base like sodium hydride and is optimized for high yield and selectivity. The final product is isolated by column chromatography.
What industries use (1E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol (CAS: 76714-88-0)?
(1E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol is primarily used in the pharmaceutical industry for the development of certain antifungal and antiviral drugs. It also finds applications in the pesticide industry, where it is used as an intermediate in the synthesis of various agrochemicals. Its role in the chemical industry is mainly as a versatile building block for the production of complex organic molecules.
What precautions should be taken when handling (1E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol (CAS: 76714-88-0)?
When handling (1E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol (CAS: 76714-88-0), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation exposure. Spills should be handled by neutralizing the compound with an appropriate reagent and disposing of the waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.
Related Compounds
![N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure](https://static.chemtradehub.com/structs/103/103687-96-3-8086.webp "N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure")
N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine
CAS Number:
103687-96-3
Molecular Formula:
C17H19NO5S
![5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure](https://static.chemtradehub.com/structs/112/112897-99-1-d1f4.webp "5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure")
5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine
CAS Number:
112897-99-1
Molecular Formula:
C30H31N3O7
![(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure](https://static.chemtradehub.com/structs/121/121055-10-5-583d.webp "(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure")
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile
CAS Number:
121055-10-5
Molecular Formula:
C17H17NO4
![Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure](https://static.chemtradehub.com/structs/126/1263059-26-2-d6da.webp "Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure")
Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CAS Number:
1263059-26-2
Molecular Formula:
C8H6ClN3O2
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