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

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

Uses

Used in Pharmaceutical Industry:
1-CHLORO-2,5-DIETHOXYBENZENE is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new and innovative drugs. Its functional groups and reactivity make it a valuable component in the creation of organic compounds with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 1-CHLORO-2,5-DIETHOXYBENZENE is utilized as a precursor in the production of agrochemicals, including pesticides and herbicides. Its chemical properties allow for the development of compounds that can effectively control and manage pests and weeds in agricultural settings.
Used in Research and Development:
1-CHLORO-2,5-DIETHOXYBENZENE is also employed in research and development for the production of new and innovative compounds with potential applications across various industries. Its unique structure and reactivity make it an important tool for scientists and researchers working on the discovery and synthesis of novel chemical entities.

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

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

Downstream Products

• 1268259-09-1 (2R,5R)-2-(2,5-diethoxyphenyl)-5-isopropyl-3,6-dimethoxy-2,5-dihydopyrazine 
• 1159073-87-6 1-(4-chloro-2,5-diethoxyphenyl)-3-heptylthiourea 
• 1159073-84-3 1-(4-chloro-2,5-diethoxyphenyl)-3-hexylthiourea 
• 1159073-58-1 1-(4-chloro-2,5-diethoxyphenyl)-3-(3-propoxypropyl)thiourea 
• 1159074-31-3 1-chloro-2,5-diethoxy-4-isothiocyanatobenzene 
• 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.