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3-(Benzyloxy)-4-Methoxybenzonitrile, also known as 4-Methoxy-3-(phenylmethoxy)benzonitrile, is a chemical compound characterized by its molecular formula C15H13NO2. It is a white to light yellow crystalline powder with a molecular weight of 239.27 g/mol. 3-(Benzyloxy)-4-Methoxybenzonitrile is recognized for its versatility in organic chemistry, stemming from its functional groups, including the benzyloxy and methoxy groups, which facilitate further modification and derivatization. Its potential biological activity, particularly as an antitumor and antifungal agent, has also been a subject of investigation.

52805-37-5

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52805-37-5 Usage

Uses

Used in Pharmaceutical Industry:
3-(Benzyloxy)-4-Methoxybenzonitrile is utilized as an intermediate in the synthesis of various pharmaceuticals and organic compounds. Its functional groups make it a valuable building block for the development of new drugs and medicinal agents.
Used in Research and Development:
In the realm of scientific research and development, 3-(Benzyloxy)-4-Methoxybenzonitrile serves as a key component in the exploration of new chemical reactions and the creation of novel organic compounds. Its presence in experiments allows researchers to study its reactivity and potential applications in various chemical processes.
Used in Organic Chemistry:
3-(Benzyloxy)-4-Methoxybenzonitrile is employed as a versatile building block in organic chemistry due to its functional groups, which enable further modification and derivatization. This makes it a useful compound for the synthesis of a wide range of organic molecules.
Used in Antitumor and Antifungal Applications:
3-(Benzyloxy)-4-Methoxybenzonitrile has been investigated for its potential biological activity, particularly as an antitumor agent, where it may contribute to the development of new cancer treatments. Additionally, its antifungal properties are of interest for applications in medicine and agriculture to combat fungal infections and diseases.

Check Digit Verification of cas no

The CAS Registry Mumber 52805-37-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,2,8,0 and 5 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 52805-37:
(7*5)+(6*2)+(5*8)+(4*0)+(3*5)+(2*3)+(1*7)=115
115 % 10 = 5
So 52805-37-5 is a valid CAS Registry Number.

52805-37-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(Benzyloxy)-4-methoxybenzonitrile

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:52805-37-5 SDS

52805-37-5Relevant academic research and scientific papers

4-anilinoquinazoline derivative and albumin conjugates thereof

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, (2019/04/26)

a pharmaceutical composition for preventing, treating, or ameliorating one or more symptoms of a malignant tumor associated with EGFR mutation and/or K-RAS mutation is provided. The pharmaceutical composition includes a 4-anilinoquinazoline derivative having a formula (I) where A is iodine when m is 1 and n is zero, or A is albumin when m is an integral ranging from 1 to 7 and n is 1.

A method for preparing gefitinib, a tyrosine kinase inhibitor

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Paragraph 0085; 0086; 0087; 0088; 0089, (2018/03/26)

The invention discloses a method for preparing gefitinib that is a tyrosine kinase inhibitor, and belongs to the fields of medicines and fine chemical engineering. The method is a novel preparation scheme, and can prepare a target compound meeting requirements no matter from which intermediate. The method has advantages of short steps, simple reaction operation, high safety and reliability, a highyield, a low cost, high product purity, low pollution, simple operation, and the like.

Synthesis and biological assay of erlotinib analogues and BSA-conjugated erlotinib analogue

Boobalan, Ramalingam,Liu, Kuang-Kai,Chao, Jui-I.,Chen, Chinpiao

, p. 1784 - 1788 (2017/04/04)

A series of erlotinib analogues that have structural modification at 6,7-alkoxyl positions is efficiently synthesized. The in vitro anti-tumor activity of synthesized compounds is studied in two non-small cell lung cancer (NSCLC) cell lines (A549 and H1975). Among the synthesized compounds, the iodo compound 6 (ETN-6) exhibits higher anti-cancer activity compared to erlotinib. An efficient method is developed for the conjugation of erlotinib analogue-4, alcohol compound, with protein, bovine serum albumin (BSA), via succinic acid linker. The in vitro anti-tumor activity of the protein attached erlotinib analogue, 8 (ETN-4-Suc-BSA), showed stronger inhibitory activity in both A549 and H1975 NSCLC cell lines.

PROCESS FOR PREPARING QUINAZOLINE DERIVATIVE

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Paragraph 0041, (2016/01/01)

A concise, efficient and cost-and time-saving process for the preparation of a quinazoline derivative of formula (A) given below: which is an intermediate for making gefitinib or gefitinib itself, comprising reacting a compound of formula (B): with 3-chloro-4-fluoroaniline (VI) in the presence of a N,N-dialkyl formamide acetal, a Bronsted acid catalyst, and a solvent in a one-pot reaction.

Optimization of gefitinib analogues with potent anticancer activity

Yin, Kai-Hao,Hsieh, Yi-Han,Sulake, Rohidas S.,Wang, Su-Pei,Chao, Jui-I.,Chen, Chinpiao

, p. 5247 - 5250 (2015/01/08)

The interactions of gefitinib (Iressa) in EGFR are hydrogen bonding and van der Waals forces through quinazoline and aniline rings. However the morpholino group of gefitinib is poorly ordered due to its weak electron density. A series of novel piperazino analogues of gefitinib where morpholino group substituted with various piperazino groups were designed and synthesized. Most of them indicated significant anti-cancer activities against human cancer cell lines. In particular, compounds 52-54 showed excellent potency against cancer cells. Convergent synthetic approach has been developed for the synthesis of gefitinib intermediate which can lead to gefitinib as well as numerous analogues.

An efficient method for the preparation of nitriles via the dehydration of aldoximes with phthalic anhydride

Wang, Eng-Chi,Huang, Keng-Shiang,Chen, Hsing-Ming,Wu, Chung-Chin,Lin, Gwo-Jiun

, p. 619 - 627 (2007/10/03)

A new and highly efficient method for the conversion of aldoximes to nitriles was established. By fusing with phthalic anhydride, aldoximes were efficiently and smoothly converted into nitriles, in high yields (over 85%) and in a short time (within 5 minutes). The mixture of phthalic anhydride, a cyclic anhydride, and aldoximes in fusing state set up an ideal transition state for a selective [3.3]-sigmatropic rearrangement of the acylated aldoximes to nitriles.

Quinoline and quinazoline compounds useful in therapy

-

, (2008/06/13)

Compounds of formula I, wherein R1 represents C1-4 alkoxy optionally substituted by one or more fluorine atoms; R2 represents an aryl group or a heteroaryl group, optionally substituted by C1-4 alkyl or SO2

Anthranilic acid derivatives as inhibitors of the cGMP-phosphodiesterase

-

, (2008/06/13)

Compounds of formula (I) STR1where R 1 is hydrogen; R 2 is nitro, cyano or halo(lower)alkyl; R 3 is phenyl substituted with one or more substituents selected from halogen, cyano and lower alkoxy; A is a lower alkylene group; R 4 is a group CR 6 R 7 R 8 wherein R 6 and R 7 form, together with the carbon atom to which they are attached a cycloalkyl group optionally substituted with hydroxy, lower alkoxy or a lower alkanoylamino; and R 8 is hydrogen; its prodrug and a salt thereof.

Quinolines and quinazolines useful in therapy

-

, (2008/06/13)

Compounds of formula I, wherein R1 represents C1-4 alkoxy optionally substituted by one or more fluorine atoms; R2 and R3 independently represent H or C1-6 alkoxy (which is optionally substituted); R4 represents a 4-, 5-, 6- or 7-membered heterocyclic rin

Quinoline and quinazoline compounds useful in therapy

-

, (2008/06/13)

PCT No. PCT/EP96/05609 Sec. 371 Date Jun. 17, 1998 Sec. 102(e) Date Jun. 17, 1998 PCT Filed Dec. 5, 1996 PCT Pub. No. WO97/23462 PCT Pub. Date Jul. 3, 1997The invention provides compounds of formula (I), wherein R1 represents C1-4 alkoxy optionally substituted by one or more fluorine atoms; R2 represents H or C1-6 alkoxy optionally substituted by one or more fluorine atoms; R3 represents one or more groups independently selected from H, halogen, C1-4 alkoxy and CF3; in addition, R2 and one R3 group may together represent -OCH2-, the methylene group being attached to the ortho-position of the pendant phenyl ring; R4 represents a 4-, 5- or 6-membered heterocyclic ring containing 1 or 2 heteroatoms selected from N, O and S, the ring being optionally fused to a benzene ring or a 5- or 6-membered heterocyclic ring containing 1 or 2 heteroatoms selected from N, O and S, the ring system as a whole being optionally substituted; X represents CH or N; and L is absent or represents a cyclic group or an open chain group; and pharmaceutically acceptable salts thereof. The compounds of formula (I) are useful in the treatment of inter alia benign prostatic hyperplasia.

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