| Identification | Back Directory | [Name]
valiphenal | [CAS]
283159-90-0 | [Synonyms]
IR 5885
valiphenal
Valifenalate
IR-5885;VALIPHENAL
Valifenalate(IR5885
Valifenalate Solution
Methyl N-(isopropoxycarbonyl)-L-valyl-(3RS)-3-(4-chlorophenyl)-β-alaninate
N-[(1-Methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-β-alanine methyl ester
N-[(1-Methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-beta-alanine methyl ester
β-Alanine, N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-, methyl ester | [EINECS(EC#)]
608-192-3 | [Molecular Formula]
C19H27ClN2O5 | [MDL Number]
MFCD22373630 | [MOL File]
283159-90-0.mol | [Molecular Weight]
398.88 |
| Chemical Properties | Back Directory | [Melting point ]
>171°C (dec.) | [Boiling point ]
573.2±50.0 °C(Predicted) | [density ]
1.175±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C Freezer, Under inert atmosphere | [solubility ]
DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated) | [form ]
neat | [pka]
11.35±0.46(Predicted) | [color ]
Off-White to Pale Brown | [BRN ]
11327531 | [Henry's Law Constant]
6.2×105 mol/(m3Pa) at 25℃, Maniere et al. (2011) | [Major Application]
agriculture
environmental | [InChI]
InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1 | [InChIKey]
JEGGEMMIZCZSRN-LYKKTTPLSA-N | [SMILES]
C(C1C=CC(=CC=1)Cl)(CC(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C | [LogP]
3.591 (est) | [EPA Substance Registry System]
Benzenepropanoic acid, 4-chloro-?-[[(2S)-3-methyl-2-[[(1-methylethoxy)carbonyl]amino]-1-oxobutyl]amino]-, methyl ester (283159-90-0) |
| Safety Data | Back Directory | [WGK Germany ]
1 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Aquatic Chronic 2
Carc. 2 |
| Hazard Information | Back Directory | [Description]
Valifenalate is a fungicide used to control various infections in grapes and other crops. It has a moderate aqueous solubility but is soluble in most organic solvents. It is not considered to be volatile and is not persistent in soil systems but may be in water-sediment systems depending on local conditions. Based on its physicochemical properties valifenalate is not expected to leach to groundwater. Toxicity to biodiversity is relatively low. Valifenalate has a low oral toxicity but there is some evidence that it may be carcinogenic. | [Uses]
Valifenalate is used in antibacterial compositions and method for controlling of plant disease with improved effect, fungicides preparation and phytosanitary treatments with fungicides. | [Definition]
ChEBI: A diastereoisomeric mixture of L-(R)- and L-(S)-valifenalate. An anti-peronosporic fungicide, it is used to control mildew in many crops including grapes, potatoes and tomatoes. | [Production Methods]
Commercial production of valifenalate typically begins with the preparation of key intermediates such as chlorinated aromatic compounds and branched aliphatic acids. These are then coupled through amide bond formation, followed by esterification to produce the final active molecule. | [Mechanism of action]
Cellulose synthesis inhibitor. Absorbed and translocated throughout the plant | [storage]
Store at -20°C | [Pesticide Type]
Fungicide |
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