30087-46-8

Usage

Chemical compound

Yes

Usage

Building block in the synthesis of polyurethane polymers

Reactivity

Highly reactive

Health hazards

Causes irritation to skin, eyes, and respiratory system

Allergenic potential

Sensitizer, can induce allergic reactions in some individuals

Safety measures

Proper safety measures and handling procedures should be in place when working with 1-chloro-4-(isocyanatophenoxy)benzene

InChI:InChI=1/C13H8ClNO2/c14-10-1-5-12(6-2-10)17-13-7-3-11(4-8-13)15-9-16/h1-8H

Upstream product

• 32315-10-9 bis(trichloromethyl) carbonate 
• 101-79-1 4-amino-4'-chlorodiphenyl ether 

Downstream Products

• 23121-85-9 C₂₁H₁₇ClN₂O₅ 
• 22546-51-6 C₁₄H₁₄ClN₃O₂ 
• 1982-47-4 chloroxuron 

Relevant academic research and scientific papers

Synthesis and structure-activity relationships of trisubstituted phenyl urea derivatives as neuropeptide Y5 receptor antagonists

1-((1R,2R)-2-Hydroxy-1-methyl-2-phenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea (1) was identified as a hit from the screening of the neuropeptide Y5 (NPY5) receptor. This lead was optimized for in vitro potency by changing the stereochemistry, the phenylethyl segment, the urea portion, and the 4-phenoxyphenyl group on the molecule. Over 40 analogues of 1 were prepared to study the structure-activity relationship for this series. The most potent compounds in this class have IC50S less than 0.1 nM at the NPY5 receptor (e.g., 40f, 44a, and 47). To determine the functional activity for this series of compounds, selected analogues were tested in a cellular assay measuring forskolin-induced cyclic AMP accumulation in 293 cells transfected with the human NPY5 receptor. All urea analogues tested in the functional assay acted as antagonists (e.g., 1, 32, 40a, and 44e).

Quantitative Structure-Activity Relationships of Insecticidal Pyrazolines

Methyl 3-(4-chlorophenyl)-4-methyl-1--2-pyrazoline-4-carboxylates and related compounds were prepared. Their convulsant activity was determined as the minimum dose required to bring about the symptom within 1 h after injection against male adult American cockroaches, Periplaneta americana (L.). Insecticidal activity with metabolic inhibitors for oxidation and hydrolysis was measured 24 h after injection of the test compounds. Variations in each of the activities were analysed by using physicochemical substituent parameters and regression analysis. The findings indicated that the greater the hydrophobicity and the more the electron-withdrawing property of the substituents, the higher were the activities. Variations in each of the two activities were parabolically related to the STERIMOL width parameter with an optimum value of about zero.