Benalaxyl-M

Base Information

• Chemical Name: Benalaxyl-M
• CAS No.: 98243-83-5
• Deprecated CAS: 1135441-58-5
• Molecular Formula: C20H23 N O3
• Molecular Weight: 325.408
• Hs Code.: 2924299090
• European Community (EC) Number: 619-330-7
• UNII: K2I4VH4B65
• DSSTox Substance ID: DTXSID0058229
• Nikkaji Number: J259.943K
• Wikidata: Q27156350
• Mol file: 98243-83-5.mol

Synonyms:Benalaxyl-M;98243-83-5;Kiralaxyl;D-Benalaxyl;(R)-Methyl 2-(N-(2,6-dimethylphenyl)-2-phenylacetamido)propanoate;(-)-R-Benalaxyl;Benalaxyl-M [ISO];(R)-Benalaxyl;methyl (2R)-2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate;IR 6141;UNII-K2I4VH4B65;K2I4VH4B65;N-(2,6-Dimethylphenyl)-N-(phenylacetyl)-D-alanine methyl ester;D-Alanine, N-(2,6-dimethylphenyl)-N-(2-phenylacetyl)-, methyl ester;methyl (2R)-2-[N-(2,6-dimethylphenyl)-2-phenylacetamido]propanoate;Capri;(-)-BENALAXYL;BENALAXYL, (-)-;SCHEMBL41642;DTXSID0058229;CHEBI:82779;MFCD11616749;IR-6141;AS-80991;Benalaxyl-M 100 microg/mL in Acetonitrile;A50837;Benalaxyl-M, PESTANAL(R), analytical standard;methyl N-(phenylacetyl)-N-(2,6-xylyl)-D-alaninate;Q27156350;methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate;N-(2,6-DIMETHYLPHENYL)-N-(2-PHENYLACETYL)-D-ALANINE METHYL ESTER

Chemical Property of Benalaxyl-M

Chemical Property:

• Vapor Pressure: 5.8E-09mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 468.8°Cat760mmHg
• Flash Point: 237.3°C
• PSA: 46.61000
• Density: 1.131g/cm³
• LogP: 3.44060
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 325.16779360
• Heavy Atom Count: 24
• Complexity: 421

Purity/Quality:

99%, ^*data from raw suppliers

(R)-Benalaxyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2
• Isomeric SMILES: CC1=C(C(=CC=C1)C)N([C@H](C)C(=O)OC)C(=O)CC2=CC=CC=C2
• Uses: (R)-Benalaxyl is the R-enantiomer of Benalaxyl (B131900) an acylamino acid fungicide.

Technology Process of Benalaxyl-M

There total 1 articles about Benalaxyl-M which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

benalaxyl (71626-11-4) → benalaxyl (98243-83-5) + DL-N-(2,6-dimethylphenyl)-N-(phenylacetyl)alanine methyl ester

Guidance literature:

With cellulose tris-(3,5-dimethylphenylcarbamate)-based chiral stationary phase; In propan-1-ol; hexane; at 20 ℃; Resolution of racemate;

DOI:10.1002/chir.20879

upstream raw materials:

benalaxyl

Refernces

• 1、 Hong, Jong-Seong,Park, Jung Hag. "Chiral separation of basic compounds on sulfated β-cyclodextrin-coated zirconia monolith by capillary electrochromatography". . p. 1809 - 1813. Retrieved 2013/07/26.