ChemicalBook--->CAS DataBase List--->98243-83-5

98243-83-5

98243-83-5 Structure

98243-83-5 Structure
IdentificationBack Directory
[Name]

Benalaxyl-M
[CAS]

98243-83-5
[Synonyms]

Benalaxyl-M
(R)-Benalaxyl
Benalaxyl-m [iso]
(S)-methyl 2-(N-(2,6-dimethylphenyl)-2-phenylacetamido)pro
methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate
N-(2,6-Dimethylphenyl)-N-(phenylacetyl)-D-alanine methyl ester
D-Alanine, N-(2,6-diMethylphenyl)-N-(phenylacetyl)-, Methyl ester
(R)-Methyl 2-(N-(2,6-diMethylphenyl)-2-phenylacetaMido)propanoate
D-Alanine, N-(2,6-dimethylphenyl)-N-(2-phenylacetyl)-, methyl ester
[Molecular Formula]

C20H23NO3
[MDL Number]

MFCD11616749
[MOL File]

98243-83-5.mol
[Molecular Weight]

325.4
Chemical PropertiesBack Directory
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

neat
[Henry's Law Constant]

4.3×103 mol/(m3Pa) at 25℃, Maniere et al. (2011)
[Major Application]

agriculture
environmental
[InChI]

InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1
[InChIKey]

CJPQIRJHIZUAQP-MRXNPFEDSA-N
[SMILES]

C(OC)(=O)[C@@H](C)N(C1=C(C)C=CC=C1C)C(CC1=CC=CC=C1)=O
[LogP]

3.258 (est)
[EPA Substance Registry System]

D-Alanine, N-(2,6-dimethylphenyl)-N-(2-phenylacetyl)-, methyl ester (98243-83-5)
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Hazard statements ]

H411
[Hazard Codes ]

N
[Risk Statements ]

51/53
[Safety Statements ]

61
[RIDADR ]

UN3077 9/PG 3
[WGK Germany ]

2
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 2
Hazard InformationBack Directory
[Description]

Benalaxyl-M is a fungicide that is widely used. It has a moderate aqueous solubility and is quite volatile. Based on its chemical properties it would not be expected to leach to groundwater. It is moderately persistent in soil systems but may be persistent in water. It is moderately toxic to mammals, birds, most aquatic organisms, honeybees and earthworms.
[Uses]

(R)-Benalaxyl is the R-enantiomer of Benalaxyl (B131900) an acylamino acid fungicide.
[Definition]

ChEBI: A methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate that is the more active R-enantiomer of benalaxyl.
[Production Methods]

Benalaxyl-M is produced commercially through a multi-step chemical synthesis that isolates the active R-enantiomer of benalaxyl, ensuring higher biological efficacy. The process typically involves asymmetric synthesis or chiral resolution techniques under tightly controlled conditions to maintain enantiomeric purity. The racemic mixture of benalaxyl is commercially produced through a multi-step chemical synthesis process, beginning with the formation of its core phenylamide structure. The active ingredient, methyl N-phenylacet yl-N-2,6-xylyl-DL-alaninate, is synthesized by reacting phenylacetic acid derivatives with substituted xylylamine and alanine esters under controlled conditions.
[Mechanism of action]

A systemic fungicide with protective, curative and eradication action. Disrupts fungal nucleic acid synthesis - RNA ploymerase 1.
[Pesticide Type]

Fungicide
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