6609-58-1

Basic information

• Product Name: 2-PROPOXYBENZONITRILE
• Synonyms: AKOS B005802;2-PROPOXYBENZONITRILE;Benzonitrile, 2-propoxy-
• CAS NO: 6609-58-1
• Molecular Formula: C₁₀H₁₁NO
• Molecular Weight: 161.2
• Mol File: 6609-58-1.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 101°C 1mm
• Flash Point: 117°C
• Appearance: /
• Density: 1,02 g/cm3
• Vapor Pressure: 0.00423mmHg at 25°C
• Refractive Index: 1.515
• CAS DataBase Reference: 2-PROPOXYBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-PROPOXYBENZONITRILE(6609-58-1)
• EPA Substance Registry System: 2-PROPOXYBENZONITRILE(6609-58-1)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 3276
• HazardClass: IRRITANT
• Hazardous Substances Data: 6609-58-1(Hazardous Substances Data)

Usage

General Description

2-Propoxybenzonitrile is a chemical compound with the molecular formula C10H11NO. It is a clear, colorless to pale yellow liquid with a faint odor. 2-Propoxybenzonitrile is used as an intermediate in the synthesis of various organic compounds, including pharmaceuticals, agrochemicals, and dyes. It is also used as a starting material for the production of specialty chemicals. The compound may undergo reactions such as hydrolysis or oxidation to form other chemical products. 2-Propoxybenzonitrile is classified as a hazardous chemical and should be handled and stored with appropriate safety measures to prevent exposure and environmental contamination.

InChI:InChI=1/C10H11NO/c1-2-7-12-10-6-4-3-5-9(10)8-11/h3-6H,2,7H2,1H3

Upstream product

• 611-20-1 salicylonitrile 
• 106-94-5 propyl bromide 
• 74-96-4 ethyl bromide 
• 71-23-8 propan-1-ol 
• 394-47-8 2-fluorobenzonitrile 
• 107-08-4 1-iodo-propane 
• 59643-84-4 2-n-propoxybenzamide 

Downstream Products

• 57075-84-0 2-n-propoxybenzamidine hydrochloride 
• 1229017-03-1 6-ethyl-2-[2-propoxy-5-(4-methyl-1-piperazinylsulfonyl)-phenyl]pyrimidin-4(3H)-one 
• 1229020-03-4 C₁₀H₁₀ClNO₃S 
• 1229017-16-6 5-fluoro-6-ethyl-2-[2-propoxy-5-(4-methyl-1-piperazinylsulfonyl)phenyl]pyrimidin-4(3H)-one 
• 1229019-16-2 5-chloro-6-ethyl-2-[2-n-propoxyl-5-(4-methyl-1-piperazinylsulfonyl)phenyl]pyrimid-4(3H)-one 
• 1229019-29-7 5-bromo-6-ethyl-2-[2-propoxy-5-(4-methyl-1-piperazinylsulfonyl)phenyl]pyrimidin-4(3H)-one 
• 1229019-28-6 5-iodo-6-ethyl-2-[2-n-propoxy-5-(4-methyl-1-piperazinylsulfonyl)phenyl]pyrimid-4(3H)-one 
• 1229019-31-1 2-propoxy-5-(4-methylpiperazin-1-yl)sulphonylbenzonitrile 
• 1229019-36-6 5-(4-methylpiperazin-1-ylsulfonyl)-2-propoxybenzimidamide 
• 37806-31-8 (2-propoxyphenyl)methanamine 
• 1229019-15-1 5-iodo-6-isopropyl-2-[2-n-propoxyl-5-(4-methyl-1-piperazinylsulfonyl)phenyl]pyrimid-4(3H )-one 
• 1229016-98-1 6-isopropyl-2-[2-n-propoxy-5-(4-methyl-piperazin-1-yl-sulfonyl)phenyl]pyrimid-4(3H)-one 

Relevant articles and documents

Development of Glucose Regulated Protein 94-Selective Inhibitors Based on the BnIm and Radamide Scaffold

Glucose regulated protein 94 (Grp94) is the endoplasmic reticulum resident of the heat shock protein 90 kDa (Hsp90) family of molecular chaperones. Grp94 associates with many proteins involved in cell adhesion and signaling, including integrins, Toll-like receptors, immunoglobulins, and mutant myocilin. Grp94 has been implicated as a target for several therapeutic areas including glaucoma, cancer metastasis, and multiple myeloma. While 85% identical to other Hsp90 isoforms, the N-terminal ATP-binding site of Grp94 possesses a unique hydrophobic pocket that was used to design isoform-selective inhibitors. Incorporation of a cis-amide bioisostere into the radamide scaffold led to development of the original Grp94-selective inhibitor, BnIm. Structure-activity relationship studies have now been performed on the aryl side chain of BnIm, which resulted in improved analogues that exhibit better potency and selectivity for Grp94. These analogues also manifest superior antimigratory activity in a metastasis model as well as enhanced mutant myocilin degradation in a glaucoma model compared to BnIm.

Triton B-mediated efficient and convenient alkoxylation of activated aryl and heteroaryl halides

A simple and convenient one-pot synthesis of aryl alkyl ethers by the alkoxylation of aryl halides with alcohol in the presence of Triton B as a base is described. The procedure is applicable for a variety of aryl and heteroaryl halides, and yields are very good. The use of a nonmetallic base and solvent-free conditions are important features of the reaction. Copyright Taylor & Francis Group, LLC.

2-Phenyl-substituited Imidazotriazinones as Phoshodiesterase Inhibitors

2-(Sulfamoyl-substituted phenyl)-3H-imidazo (5,1-f) (1,2,4) triazin-4-ones (I) are new. Imidazotriazinones of formula (I) and their salts, N-oxides and isomeric forms are new: R1 = H or 1-4C alkyl; R2 = 1-4C straight chain alkyl; R3, R4 = H, 2-8C alkenyl, 1-8C alkoxy or 1-10C alkyl (optionally interrupted by O and/or substituted by a very wide range of specific groups); or R3 or R4 = NR20R21, adamantyl, 2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl, sulfolanyl, hydroxy-sulfolanyl, 2-oxo-tetrahydrofuran-3-yl; or 3-8C cycloalkyl, 6-10C aryl or 5-7 membered heterocycle, all optionally substituted by specific groups; or NR3R4 = (a) optionally benzo-fused, saturated, partially unsaturated or unsaturated 5-7 membered heterocycle, optionally containing 1-3 of S, N, O and NR37 and optionally substituted by a very wide range of specific groups; or (b) a group of formula (i)-(iv); R20,R21 = H or 1-6C alkyl; R37 = H, OH, CHO, CF3, up to 4C acyl, up to 4C alkoxycarbonyl, 1-4C alkoxy, 1-6C alkyl (optionally substituted by specific groups) or -(CO)iE; i = 0 or 1; E = 3-7C cycloalkyl or benzyl; 6-10C aryl or 5- or 6-membered heteroaryl, both optionally substituted by specific groups ; or 5-methyl-1-oxo-2,1,3-oxadiazol-4-yl, N-methylpiperazino or morpholino; R5,R6 = H, 1-6C alkyl, OH or 1-6C alkoxy. The full definitions are given in the DEFINITIONS (Full Definitions) field. An Independent claim is included for the preparation of (I).