1,3-diisopropyl-2-isothiocyanato-5-phenoxybenzene

Base Information

• Chemical Name: 1,3-diisopropyl-2-isothiocyanato-5-phenoxybenzene
• CAS No.: 80058-93-1
• Molecular Formula: C19H21 N O S
• Molecular Weight: 311.448
• Mol file: 80058-93-1.mol

Synonyms:4-phenoxy-2，6-diisopropyl phenyl isothiocyanate

Chemical Property of 1,3-diisopropyl-2-isothiocyanato-5-phenoxybenzene

Chemical Property:

• Boiling Point: 411.0±45.0 °C(Predicted)
• PSA: 53.68000
• Density: 1.04±0.1 g/cm3(Predicted)
• LogP: 6.46000
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Dichloromethane; Ethyl Acetate; Methanol

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene is a proposed intermediate in the synthesis of 6-Amino-1-(2,6-diisopropyl-4-phenoxyphenyl)-4-((2,6-diisopropyl-4-phenoxyphenyl)amino)-1,3,5-triazine-2(1H)-thione (A607450) is an impurity compound of Diafenthiuron (D310550), an insecticide.

Technology Process of 1,3-diisopropyl-2-isothiocyanato-5-phenoxybenzene

There total 2 articles about 1,3-diisopropyl-2-isothiocyanato-5-phenoxybenzene 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:

2,6-diisopropyl-4-phenoxyaniline (80058-85-1) + thiophosgene (463-71-8) → 2,6-diisopropyl-4-phenoxy-1-isothiocyanobenzene (80058-93-1)

Guidance literature:

With calcium carbonate; In dichloromethane; water;

Reference yield:

N-(4-phenoxy-2,6-diisopropylphenyl)thiourea → 2,6-diisopropyl-4-phenoxy-1-isothiocyanobenzene (80058-93-1)

Guidance literature:

In o-xylene;

Reference yield: 95.0%

2,6-diisopropyl-4-phenoxy-1-isothiocyanobenzene (80058-93-1) + methylhydrazine (60-34-4) → N-methylamino-N'-(2,6-diisopropyl-4-phenoxyphenyl)thiourea

Guidance literature:

In water; ethyl acetate;

upstream raw materials:

2,6-diisopropyl-4-phenoxyaniline

thiophosgene

Downstream raw materials:

diafenthiuron

Refernces

• 1、 -. "Phenoxyphenylisothioureas, production thereof and use thereof in pest control, and phenoxyphenylthioureas as intermediates for the production of the phenoxyphenylisothioureas and use thereof in pest control". . . Retrieved 2008/06/13.