6378-66-1

Basic information

• Product Name: 2-CHLORO-1-(4-CHLORO-PHENYL)-ETHANOL
• Synonyms: 2-CHLORO-1-(4-CHLORO-PHENYL)-ETHANOL;4-chloro-alpha-(chloromethyl)benzyl alcohol;1-(4-Chlorophenyl)-2-chloroethanol;4-Chloro-α-(chloromethyl)benzenemethanol;Benzenemethanol, 4-chloro-.alpha.-(chloromethyl)-
• CAS NO: 6378-66-1
• Molecular Formula: C₈H₈Cl₂O
• Molecular Weight: 191.05
• EINECS: 228-954-5
• Mol File: 6378-66-1.mol
• Article Data: 18

Chemical Properties

• Melting Point: 39-41 °C
• Boiling Point: 295.7°C at 760 mmHg
• Flash Point: 122.4°C
• Appearance: /
• Density: 1.328g/cm³
• Vapor Pressure: 0.000679mmHg at 25°C
• Refractive Index: 1.568
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 13.00±0.20(Predicted)
• CAS DataBase Reference: 2-CHLORO-1-(4-CHLORO-PHENYL)-ETHANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-1-(4-CHLORO-PHENYL)-ETHANOL(6378-66-1)
• EPA Substance Registry System: 2-CHLORO-1-(4-CHLORO-PHENYL)-ETHANOL(6378-66-1)

Safety Data

• Hazardous Substances Data: 6378-66-1(Hazardous Substances Data)

Usage

General Description

2-Chloro-1-(4-chloro-phenyl)-ethanol is a synthetic organic compound that belongs to the group of monochlorobenzenes. It has two chlorine atoms in its structure; one attached to the carbon atom of the ethanol group and the other attached to the phenyl ring. 2-CHLORO-1-(4-CHLORO-PHENYL)-ETHANOL, as with other organochlorines, has high stability due to the presence of strong carbon-chlorine bonds making it resistant to breakdown. Its exact properties, uses, and toxicity are not widely documented in scientific literature and it may be used in various chemical synthesis procedures. Its impact on human health and the environment is not fully known, highlighting the need for careful handling and disposal.

InChI:InChI=1/C8H8Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,11H,5H2

Upstream product

• 107-20-0 2-chloroethanal 
• 873-77-8 (4-chlorphenyl)magnesium bromide 
• 555-31-7 aluminum isopropoxide 
• 937-20-2 p-chlorophenacyl chloride 
• 74-97-5 chlorobromomethane 
• 104-88-1 4-chlorobenzaldehyde 
• 5455-98-1 2-oxiranylmethylisoindole-1,3-dione 
• 593-71-5 Chloroiodomethane 
• 1073-67-2 4-vinylbenzyl chloride 
• 2788-86-5 4-Chlorostyrene oxide 

Downstream Products

• 62881-59-8 1-p-chlorophenyl-2-(1,2,4-triazol-1-yl)ethanol 
• 84466-38-6 (RS)-3-(4-chlorophenyl)-3-hydroxypropionitrile 
• 1283135-24-9 2-(2-bromo-4-nitro-1H-imidazol-1-yl)-1-(4-chlorophenyl)ethanol 
• 1283135-49-8 1-(4-chlorophenyl)-2-(2-methoxy-4-nitro-1H-imidazol-1-yl)ethanol 
• 1037717-06-8 1-(4-chlorophenyl)-1-(4-methylphenoxy)-2-chloroethane 
• 178460-78-1 (S)-2-chloro-1-(4-chlorophenyl)ethan-1-ol 
• 666746-61-8 t-butyl 4-[4-(4-chlorophenyl)-2-trifluoromethyl-1,3-dioxolan-2-yl]-2-methylcarbanilate 
• 61628-03-3 1-phenyl-(4'-chloro)-1-fluoro-2-chloroethane 
• 22692-73-5 (E/Z)-1-chloro-4-(4-methylstyryl)benzene 
• 2788-86-5 4-Chlorostyrene oxide 

Relevant articles and documents

Taking advantage of lithium monohalocarbenoid intrinsic α-elimination in 2-MeTHF: controlled epoxide ring-openingen routeto halohydrins

The intrinsic degradative α-elimination of Li carbenoids somehow complicates their use in synthesis as C1-synthons. Nevertheless, we herein report how boosting such an α-elimination is a straightforward strategy for accomplishing controlled ring-opening of epoxides to furnish the corresponding β-halohydrins. Crucial for the development of the method is the use of the eco-friendly solvent 2-MeTHF, which forces the degradation of the incipient monohalolithium, due to the very limited stabilizing effect of this solvent on the chemical integrity of the carbenoid. With this approach, high yields of the targeted compounds are consistently obtained under very high regiocontrol and, despite the basic nature of the reagents, no racemization of enantiopure materials is observed.

Lipase mediated enzymatic kinetic resolution of phenylethyl halohydrins acetates: A case of study and rationalization

Racemic phenylethyl halohydrins acetates containing several groups attached to the aromatic ring were resolved via hydrolysis reaction in the presence of lipase B from Candida antarctica (Novozym 435). In all cases, the kinetic resolution was highly selective (E > 200) leading to the corresponding (S)-β-halohydrin with ee > 99 %. However, the time required for an ideal 50 % conversion ranged from 15 min for 2,4-dichlorophenyl chlorohydrin acetate to 216 h for 2-chlorophenyl bromohydrin acetate. Six chlorohydrins and five bromohydrins were evaluated, the latter being less reactive. For the β-brominated substrates, steric hindrance on the aromatic ring played a crucial role, which was not observed for the β-chlorinated derivatives. To shed light on the different reaction rates, docking studies were carried out with all the substrates using MD simulations. The computational data obtained for the β-brominated substrates, based on the parameters analysed such as NAC (near attack conformation), distance between Ser-O and carbonyl-C and oxyanion site stabilization were in agreement with the experimental results. On the other hand, the data obtained for β-chlorinated substrates suggested that physical aspects such as high hydrophobicity or induced change in the conformation of the enzymatic active site are more relevant aspects when compared to steric hindrance effects.

Bicyclic nitroimidazole derivatives, preparation method thereof and pharmaceutical composition for prevention or treatment of tuberculosis containing the same as an active ingredient

The present invention relates to a bicyclic nitroimidazole derivative or a pharmaceutically acceptable salt thereof, a method for manufacturing the same, and a pharmaceutical composition comprising the same for preventing or treating tuberculosis. The novel bicyclic nitroimidazole derivative according to the present invention shows a superior antitubercular efficacy for tubercular bacillus in various environments, thereby can be used as a pharmaceutical composition for preventing or treating the tuberculosis.