52196-74-4

Basic information

• Product Name: 1-CHLORO-2,5-DIETHOXYBENZENE
• Synonyms: 2-chloro-1,4-diethoxy-benzen;2,5-DIETHOXYCHLOROBENZENE;2-CHLORO-1,4-DIETHOXYBENZENE;1-CHLORO-2,5-DIETHOXYBENZENE;6-CHLORO-1,4-DIETHOXYBENZENE;Chlorodiethoxybenzene;2-Chlor-1,4-diethoxybenzol;1-CHLORO-2,5-DIETHOXYBENZENE 98+%
• CAS NO: 52196-74-4
• Molecular Formula: C₁₀H₁₃ClO₂
• Molecular Weight: 200.66
• EINECS: 257-728-9
• Mol File: 52196-74-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 266 °C
• Flash Point: 130°C(lit.)
• Appearance: /
• Density: 1.14
• Vapor Pressure: 0.00975mmHg at 25°C
• Refractive Index: 1.5270-1.5300
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-CHLORO-2,5-DIETHOXYBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-CHLORO-2,5-DIETHOXYBENZENE(52196-74-4)
• EPA Substance Registry System: 1-CHLORO-2,5-DIETHOXYBENZENE(52196-74-4)

Safety Data

• Hazardous Substances Data: 52196-74-4(Hazardous Substances Data)

Usage

General Description

1-CHLORO-2,5-DIETHOXYBENZENE is a chemical compound with the molecular formula C10H13ClO2. It is an aromatic compound that contains a benzene ring with two ethoxy (CH3-CH2-O) groups and a chlorine atom attached to it. 1-CHLORO-2,5-DIETHOXYBENZENE is widely used in the synthesis of pharmaceuticals and agrochemicals due to its versatile reactivity and functional groups. It is primarily used as a building block in the manufacturing of various organic compounds and is an important intermediate in the production of other chemicals. 1-CHLORO-2,5-DIETHOXYBENZENE is also used in research and development for the production of new and innovative compounds with potential applications in various industries.

InChI:InChI=1/C10H13ClO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4H2,1-2H3

Upstream product

• 75-09-2 dichloromethane 
• 122-95-2 1,4-diethoxybenzene 
• 75-03-6 ethyl iodide 
• 615-67-8 chloro-p-hydroquinone 

Downstream Products

• 1159074-31-3 1-chloro-2,5-diethoxy-4-isothiocyanatobenzene 
• 1159073-58-1 1-(4-chloro-2,5-diethoxyphenyl)-3-(3-propoxypropyl)thiourea 
• 1159073-84-3 1-(4-chloro-2,5-diethoxyphenyl)-3-hexylthiourea 
• 1159073-87-6 1-(4-chloro-2,5-diethoxyphenyl)-3-heptylthiourea 
• 1268259-09-1 (2R,5R)-2-(2,5-diethoxyphenyl)-5-isopropyl-3,6-dimethoxy-2,5-dihydopyrazine 
• 35271-60-4 4-chloro-2,5-diethoxyaniline 
• 91-43-0 1-chloro-2,5-diethoxy-4-nitrobenzene 

Relevant articles and documents

Structure-activity relationship studies of 1-(4-chloro-2,5-dimethoxyphenyl) -3-(3-propoxypropyl)thiourea, a non-nucleoside reverse transcriptase inhibitor of human immunodeficiency virus type-1

The reverse transcriptase (RT) of the human immunodeficiency virus type-1 (HIV-1) is still a prime target for drug development due to the continuing need to block drug-resistant RT mutants by new inhibitors. We have previously identified 1-(4-chloro-2,5-dimethoxyphenyl)-3-(3-propoxypropyl)thiourea, compound 1, as a potent RT inhibitor from an available chemical library. Here, we further modified this compound to study structure-activity relationships when replacing various groups in the molecule. Different functional groups were systematically introduced on the aromatic ring and the aliphatic chain of the compound was modified. The effect of these modifications on viral infectivity was then evaluated. The most potent compound found was propyl 4-(amino-N-(4-chloro-2,5-dimethoxyphenyl)methanethioamino)butanoate, 45c, which inhibited infectivity with a calculated IC50 of about 1.1 μM. Docking studies identified potential important interactions between the top scoring ligands and HIV-1 RT, and the predicted relative affinity of the ligands was found to be in agreement with the experimental results.