320730-08-3

Basic information

• Product Name: 3-(1-CYANOETHYL)BENZOIC ACID
• Synonyms: 3-(2-hydroxyethyl)benzoic acid;Benzoic acid, 3-(2-hydroxyethyl)-;Ketoprofen EP Impurity G
• CAS NO: 320730-08-3
• Molecular Formula: C₉H₁₀O₃
• Molecular Weight: 175.18
• EINECS: 1533716-785-6
• Mol File: 320730-08-3.mol
• Article Data: 5

Chemical Properties

• Melting Point: 143-145 °C(lit.)
• Boiling Point: 408.4°Cat760mmHg
• Flash Point: 200.8°C
• Appearance: /
• Density: 1.21g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.567
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Acetone (Slightly), DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• PKA: 4.23±0.10(Predicted)
• CAS DataBase Reference: 3-(1-CYANOETHYL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(1-CYANOETHYL)BENZOIC ACID(320730-08-3)
• EPA Substance Registry System: 3-(1-CYANOETHYL)BENZOIC ACID(320730-08-3)

Safety Data

• Hazard Codes: Xn
• Statements: 22-41-43
• Safety Statements: 26-36/37/39
• WGK Germany: 3
• Hazardous Substances Data: 320730-08-3(Hazardous Substances Data)

Usage

Description

3-(1-CYANOETHYL)BENZOIC ACID, also known as Ketoprofen EP Impurity G, is an organic compound derived from benzoic acid with a cyanoethyl group attached at the 3rd position. It is characterized by its structural properties, which contribute to its potential applications in various fields.

Uses

Used in Pharmaceutical Industry:
3-(1-CYANOETHYL)BENZOIC ACID is used as an impurity in the synthesis of Ketoprofen (K200800) for its anti-inflammatory and analgesic properties. It plays a significant role in the development and production of medications aimed at reducing inflammation and alleviating pain.
In the synthesis process, 3-(1-CYANOETHYL)BENZOIC ACID serves as a crucial intermediate compound, contributing to the overall effectiveness and potency of the final product, Ketoprofen. Its presence in the synthesis is essential for achieving the desired therapeutic outcomes in patients requiring treatment for inflammation and pain relief.

InChI:InChI=1/C10H9NO2/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1,3,5,7H,2,4H2,(H,12,13)

Upstream product

• 153599-45-2 methyl 3-(2-hydroxylethyl)benzoate 
• 124-38-9 carbon dioxide 
• 28229-69-8 2-(3-bromophenyl)ethan-1-ol 
• 249937-07-3 [2‐(3‐bromophenyl)ethoxy](tert‐butyl)dimethylsilane 

Downstream Products

• 891832-62-5 4-[3-(2-hydroxy-ethyl)-benzoyl]-piperazine-1-carboxylic acid tert-butyl ester 

Relevant articles and documents

Nitroxide derivative of ROCK kinase inhibitor

The invention provides a small molecular compound of a NO donor. The small molecular compound is characterized in that the small molecular compound is a compound shown represented by structural formula I shown in the description, or a stereoisomer, a geometrical isomer, a tautomer, a racemate, a deuterated isotope derivative, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof; and in the formula I, ring A is a substituted or unsubstituted heteroaromatic ring, X is selected from (CH2)n, n is selected from 0, 1, 2 and 3, R is a substituent group of terminal -O-NO2, R is selected from hydrogen, a hydroxyl group, halogen, an amino group, a cyano group, a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkoxy group, a substituted or unsubstituted alkenyl group, a substituted or unsubstituted alkynyl group and a substituted or unsubstituted heteroalkyl group, and R and R are respectively and independently selected from hydrogen, a substituted or unsubstituted alkyl group, a substituted or unsubstituted naphthenic base or an amino protecting group, or R and R are connected to form a substituted or unsubstituted cyclic heteroalkyl group. The compound has a high-activity inhibition effect on ROCK kinase.

BICYCLOR [2.2.1] HEPT-7-YLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES AND CONDITIONS IN WHICH M3 MUSCARINIC RECEPTOR ACTIVITY AND BETA-ADRENERGIC ACTIVITY ARE IMPLICATED

The present invention relates to compounds of formula (I) having muscarinic M3 receptor and β-adrenergic receptor modulating activity; wherein R1, R2, R3 and X are as defined herein.

TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM

The present invention relates to tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them. More precisely, the present invention relates to tricyclic derivatives as colchicine derivatives, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them. Tricyclic derivatives of the present invention show very powerful cytotoxicity to cancer cell lines but were much less toxic than colchicine or taxol, confirmed through animal toxicity test. Tricyclic derivatives of the invention also decrease the volume and weight of a tumor and have a strong angiogenesis inhibiting activity in HUVEC cells. Thus, tricyclic derivatives of the present invention can effectively be used as an anticancer agent, anti-proliferation agent and an angiogenesis inhibitor.