IPROVALICARB

Base Information

• Chemical Name: IPROVALICARB
• CAS No.: 140923-17-7
• Molecular Formula: C18H28 N2 O3
• Molecular Weight: 320.432
• Hs Code.: 2930200012
• DSSTox Substance ID: DTXSID60861356
• Wikidata: Q27156987
• Mol file: 140923-17-7.mol

Synonyms:Carbamicacid, [(1S)-2-methyl-1-[[[1-(4-methylphenyl)ethyl]amino]carbonyl]propyl]-,1-methylethyl ester (9CI); Fencaramid; Iprovalicarb; SZX 0722

Chemical Property of IPROVALICARB

Chemical Property:

• Vapor Pressure: 4.8E-10mmHg at 25°C
• Melting Point: 163-165° (mixture), 183° (SR), 199° (SS)
• Boiling Point: 497.8°Cat760mmHg
• PKA: 11.41±0.46(Predicted)
• Flash Point: 254.8°C
• PSA: 67.43000
• Density: 1.043g/cm³
• LogP: 4.11320
• Storage Temp.: 0-6°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 320.20999276
• Heavy Atom Count: 23
• Complexity: 388

Purity/Quality:

99% ^*data from raw suppliers

Iprovalicarb ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C
• Uses: Iprovalicarb is a systematic fungicide. Iprovalicarb is used for the control of pathogenic fungi from the oomycetes class in grapes, potatoes, tomatoes and other crops. Fungicide.

Technology Process of IPROVALICARB

There total 2 articles about IPROVALICARB 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:

L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) → iprovalicarb (140923-17-7,140923-25-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / tetrahydrofuran; water / 20 °C

2: isopropyl chloroformate / tetrahydrofuran

With isopropyl chloroformate; potassium hydroxide; In tetrahydrofuran; water;

DOI:10.1016/j.bmcl.2015.10.089

Reference yield:

1-(p-tolyl)ethylamine (42070-98-4) + N-isopropoxycarbonyl-S-valine (140923-27-9) → iprovalicarb (140923-17-7,140923-25-7)

Guidance literature:

N-isopropoxycarbonyl-S-valine; With isopropyl chloroformate; In tetrahydrofuran;

1-(p-tolyl)ethylamine; With triethylamine; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2015.10.089

Reference yield: 51.0%

iprovalicarb (140923-17-7,140923-25-7) + Grushin’s reagent (1680206-12-5) → C19H27F3N2O3

Guidance literature:

With ammonium peroxydisulfate; dimethyl zinc(II); In water; acetonitrile; at 45 ℃; for 3h; Inert atmosphere;

DOI:10.1002/chem.201802766

upstream raw materials:

1-(p-tolyl)ethylamine

N-isopropoxycarbonyl-S-valine

L-valine

Refernces