23163-84-0

Basic information

• Product Name: 2-ETHOXYPHENYL ISOTHIOCYANATE
• Synonyms: 2-ETHOXYPHENYL ISOTHIOCYANATE;AKOS B016330;ART-CHEM-BB B016330;1-Ethoxy-2-isothiocyanatobenzene;o-ethoxyphenyl isothiocyanate;2-Ethoxyphenyl isothiocyanate 97%;2-Isothiocyanatophenetol;1-Ethoxy-2-isothiocyanatobenzene, 2-Isothiocyanatophenetole, Ethyl 2-isothiocyanatophenyl ether
• CAS NO: 23163-84-0
• Molecular Formula: C9H9NOS
• Molecular Weight: 179.24
• EINECS: 245-468-9
• Mol File: 23163-84-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 223 °C
• Flash Point: 131.1 °C
• Appearance: /
• Density: 1.14
• Vapor Pressure: 0.00306mmHg at 25°C
• Refractive Index: 1.544
• Storage Temp.: Keep Cold
• Sensitive: Moisture Sensitive/Lachrymatory
• CAS DataBase Reference: 2-ETHOXYPHENYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ETHOXYPHENYL ISOTHIOCYANATE(23163-84-0)
• EPA Substance Registry System: 2-ETHOXYPHENYL ISOTHIOCYANATE(23163-84-0)

Safety Data

• Hazard Codes: C,T,Xi
• Statements: 20/21/22-36/37/38-36
• Safety Statements: 26-36/37/39
• HazardClass: KEEP COLD, LACHRYMATOR, TOXIC
• Hazardous Substances Data: 23163-84-0(Hazardous Substances Data)

Usage

General Description

2-Ethoxyphenyl isothiocyanate, also known as ethyl 2-isothiocyanatophenyl ether, is a chemical compound with the formula C9H9NOS. It is a colorless to yellow liquid with a strong odor. 2-ETHOXYPHENYL ISOTHIOCYANATE is commonly used in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. Additionally, 2-Ethoxyphenyl isothiocyanate has been found to exhibit potential biological activities, including antitumor and anti-inflammatory effects. Its reactive isothiocyanate group makes it a versatile building block in organic chemistry for the production of various functionalized derivatives. However, it should be handled with care as it is a strong irritant to the skin, eyes, and respiratory system.

InChI:InChI=1/C9H9NOS/c1-2-11-9-6-4-3-5-8(9)10-7-12/h3-6H,2H2,1H3

Upstream product

• 463-71-8 thiophosgene 
• 94-70-2 ortho-phenitidine 
• 75-15-0 carbon disulfide 

Downstream Products

• 1756-44-1 1,3-bis-(2-ethoxy-phenyl)-thiourea 
• 1516-38-7 2-ethoxyphenylthiourea 
• 64374-51-2 4-(2-ethoxyphenyl)-3-thiosemicarbazide 
• 60988-20-7 1-(2-ethoxy-phenyl)-3-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-thiourea 
• 132814-28-9 3-(2-Ethoxy-phenyl)-4-imino-5-(4-methoxy-phenyl)-7-phenyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidine-2-thione 
• 139004-26-5 4,4'-Di(2-ethoxyphenyl)bis-malonylthiosemicarbazide 
• 139004-30-1 4,4'-Di(2-ethoxyphenyl)bis-succinylthiosemicarbazide 
• 132814-33-6 5-(4-Chloro-phenyl)-3-(2-ethoxy-phenyl)-4-imino-7-phenyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidine-2-thione 
• 76506-89-3 4-{2-[3-(2-Methoxy-phenyl)-ureido]-ethyl}-piperazine-1-carbothioic acid (2-ethoxy-phenyl)-amide 
• 76776-82-4 1-<5-(4-fluorophenyl)-2H-tetrazol-2-ylacetyl>-4-(2-ethoxyphenyl)thiosemicarbazide 
• 76765-91-8 1-<5-(4-methoxyphenyl)-2H-tetrazol-2-ylacetyl>-4-(2-ethoxyphenyl)thiosemicarbazide 
• 72461-33-7 1-(2-Ethoxy-phenyl)-3-[4-(4-methoxy-phenyl)-5-phenylazo-thiazol-2-yl]-thiourea 
• 72461-43-9 1-(2-Ethoxy-phenyl)-3-[4-(4-methoxy-phenyl)-5-o-tolylazo-thiazol-2-yl]-thiourea 
• 72461-53-1 1-(2-Ethoxy-phenyl)-3-[4-(4-methoxy-phenyl)-5-(2-methoxy-phenylazo)-thiazol-2-yl]-thiourea 

Relevant articles and documents

Aminobenzimidazoles and Structural Isomers as Templates for Dual-Acting Butyrylcholinesterase Inhibitors and hCB2R Ligands To Combat Neurodegenerative Disorders

A pharmacophore model for butyrylcholinesterase (BChE) inhibitors was applied to a human cannabinoid subtype 2 receptor (hCB2R) agonist and verified it as a first-generation lead for respective dual-acting compounds. The design, synthesis, and pharmacological evaluation of various derivatives led to the identification of aminobenzimidazoles as second-generation leads with micro- or sub-micromolar activities at both targets and excellent selectivity over hCB1and AChE, respectively. Computational studies of the first- and second-generation lead structures by applying molecular dynamics (MD) on the active hCB2R model, along with docking and MD on hBChE, has enabled an explanation of their binding profiles at the protein levels and opened the way for further optimization. Dual-acting compounds with “balanced” affinities and excellent selectivities could be obtained that represent leads for treatment of both cognitive and pathophysiological impairment occurring in neurodegenerative disorders.

2-Arylimino-5,6-dihydro-4H-1,3-thiazines as a new class of cannabinoid receptor agonists. Part 1: Discovery of CB2 receptor selective compounds

2-Arylimino-5,6-dihydro-4H-1,3-thiazines have been identified as a novel class of cannabinoid agonists. A lead structure with moderate activity was discovered through a high throughput screening assay. Structure-activity relationships led to the discovery of potent agonists of CB2 receptor. The most potent compound 13 displays Ki values of >5000 and 9 nM to CB1 and CB2 receptors, respectively.