Furalaxyl

Base Information

• Chemical Name: Furalaxyl
• CAS No.: 57646-30-7
• Deprecated CAS: 66063-54-5
• Molecular Formula: C₁₇H₁₉NO₄
• Molecular Weight: 301.342
• Hs Code.: 29321900
• European Community (EC) Number: 260-875-1
• UNII: 9OY703A81O
• DSSTox Substance ID: DTXSID4047543
• Wikidata: Q19280071
• Metabolomics Workbench ID: 67747
• ChEMBL ID: CHEMBL3183557
• Mol file: 57646-30-7.mol

Synonyms:furalaxyl

Chemical Property of Furalaxyl

Chemical Property:

• Vapor Pressure: 2.88E-07mmHg at 25°C
• Melting Point: 70℃
• Boiling Point: 420.1°Cat760mmHg
• PKA: 1.35±0.50(Predicted)
• Flash Point: 207.9°C
• PSA: 59.75000
• Density: 1.179g/cm³
• LogP: 3.10470
• Water Solubility.: 230 mg l-1 (20 °C)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 301.13140809
• Heavy Atom Count: 22
• Complexity: 402

Purity/Quality:

99.0% ^*data from raw suppliers

Furalaxyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-52/53
• Safety Statements: 36/37/39-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=CO2
• Uses: Furalaxyl is used for the control of soil-borne diseases caused by Phytophthora and Pythium species and other Oomycetes on ornamentals.

Technology Process of Furalaxyl

There total 5 articles about Furalaxyl 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: 67.0%

2-furancarbonyl chloride (527-69-5) + methyl (2R)-2-[(2,6-dimethylphenyl)amino]propanoate (57646-33-0) → (R)-methyl N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl)alaninate (57764-08-6,57646-30-7)

Guidance literature:

With sodium hydrogencarbonate; In toluene; at 5 - 20 ℃; for 4h;

DOI:10.1002/chir.22323

Reference yield: 67.0%

2-furancarbonyl chloride (527-69-5) + (S)-methyl 2-(2,6-dimethylphenylamino)propanoate (67617-63-4) → (S)-methyl N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl)alaninate (79048-45-6,57646-30-7)

Guidance literature:

With sodium hydrogencarbonate; In toluene; at 5 - 20 ℃; for 4h;

DOI:10.1002/chir.22323

Reference yield: 67.0%

2-furancarbonyl chloride (527-69-5) + methyl N-(2,6-dimethylphenyl)alaninate (52888-49-0) → furalaxyl (57646-30-7)

Guidance literature:

With sodium hydrogencarbonate; In toluene; at 5 - 20 ℃; for 4h;

DOI:10.1002/chir.22323

upstream raw materials:

2-furancarbonyl chloride

methyl N-(2,6-dimethylphenyl)alaninate

methyl (2R)-2-[(2,6-dimethylphenyl)amino]propanoate

(S)-methyl 2-(2,6-dimethylphenylamino)propanoate