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41014-20-4

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41014-20-4 Usage

Description

4-(Bromomethyl)naphthalene-1-carbonitrile, with the molecular formula C13H8BrN, is a naphthalene derivative featuring a cyanide functional group and a bromomethyl substituent. It is a valuable chemical building block in medicinal and organic chemistry, known for its reactivity with nucleophiles and its role as an intermediate in the synthesis of other organic compounds and pharmaceuticals.

Uses

Used in Organic Synthesis:
4-(Bromomethyl)naphthalene-1-carbonitrile is used as an intermediate for the synthesis of various organic compounds. Its reactivity with nucleophiles makes it a versatile building block in the creation of complex organic molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-(Bromomethyl)naphthalene-1-carbonitrile is used as a key intermediate in the development of new drugs. Its unique structure and reactivity contribute to the design and synthesis of novel pharmaceutical agents.
Used as a Reagent in Organic Chemical Reactions:
4-(Bromomethyl)naphthalene-1-carbonitrile serves as a reagent in various organic chemical reactions, facilitating the formation of desired products and aiding in the advancement of organic chemistry research.
It is crucial to handle 4-(Bromomethyl)naphthalene-1-carbonitrile with care due to its toxic nature, ensuring proper safety measures are in place to prevent harm during its use in research and industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 41014-20-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,1,0,1 and 4 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 41014-20:
(7*4)+(6*1)+(5*0)+(4*1)+(3*4)+(2*2)+(1*0)=54
54 % 10 = 4
So 41014-20-4 is a valid CAS Registry Number.

41014-20-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(BROMOMETHYL)NAPHTHALENE-1-CARBONITRILE

1.2 Other means of identification

Product number -
Other names 1-Naphthalenecarbonitrile,4-(bromomethyl)

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:41014-20-4 SDS

41014-20-4Relevant articles and documents

Intermolecular hydrogen bonding controlled stereoselective photocycloaddition of vinyl ethers to 1-cyanonaphthalenes

Maeda, Hajime,Takenaka, Hiroki,Mizuno, Kazuhiko

, p. 1385 - 1392 (2016)

With the aim of developing photoreactions that use intermolecular hydrogen bonding interactions to control the efficiency and stereochemistry, the 1,2-[2 + 2] photocycloaddition reactions of 1-cyanonaphthalene derivatives with vinyl ethers possessing hydroxy groups were examined. The photoreaction of 1-cyano-4-(hydroxymethyl)naphthalene (1a) with 2-hydroxyethyl vinyl ether (2a) at room temperature was found to produce cycloadducts, endo-3aa and exo-3aa, in a non-stereoselective manner (56?:?44). However, this photoreaction at ?40 °C displays a high endo-selectivity (81?:?19). In the reaction of 1a with ethyl vinyl ether (2b), high endo selectivity was observed both at room temperature and at ?40 °C. The endo selectivity in the [2 + 2] photocycloaddition process is attributed to the intermolecular hydrogen bonding interactions between the reacting partners in the ground and excited states. Evidence to support this conclusion comes from the results of VT NMR and fluorescence quenching experiments, as well as the photoreactions of deuterated substrates.

Systematic structure-activity relationship (SAR) exploration of diarylmethane backbone and discovery of a highly potent novel uric acid transporter 1 (URAT1) inhibitor

Cai, Wenqing,Wu, Jingwei,Liu, Wei,Xie, Yafei,Liu, Yuqiang,Zhang, Shuo,Xu, Weiren,Tang, Lida,Wang, Jianwu,Zhao, Guilong

, (2018/02/07)

In order to systematically explore and better understand the structure-activity relationship (SAR) of a diarylmethane backbone in the design of potent uric acid transporter 1 (URAT1) inhibitors, 33 compounds (1a-1x and 1ha-1hi) were designed and synthesized, and their in vitro URAT1 inhibitory activities (IC50) were determined. The three-round systematic SAR exploration led to the discovery of a highly potent novel URAT1 inhibitor, 1h, which was 200-and 8-fold more potent than parent lesinurad and benzbromarone, respectively (IC50 = 0.035 μM against human URAT1 for 1h vs. 7.18 μM and 0.28 μM for lesinurad and benzbromarone, respectively). Compound 1h is the most potent URAT1 inhibitor discovered in our laboratories so far and also comparable to the most potent ones currently under development in clinical trials. The present study demonstrates that the diarylmethane backbone represents a very promising molecular scaffold for the design of potent URAT1 inhibitors.

Intramolecular Photocycloaddition Reactions of Arylcyclopropane Tethered 1-Cyanonaphthalenes

Maeda, Hajime,Matsuda, Shoji,Mizuno, Kazuhiko

, p. 8544 - 8551 (2016/09/28)

Intramolecular photocycloaddition reactions of 1-cyanonaphthalenes bearing an arylcyclopropane containing side chain were investigated. Photoreactions of members of this family in which the arylcyclopropane moiety is bonded at the 2-position of the 1-cyanonaphthalene ring produce head-to-head and head-to-tail 1,2-[3+2] photocycloadducts. On the other hand, substances in this family containing an arylcyclopropane side chain linked to the 4-position of the cyanoarene ring undergo photoreactions to form [4+3] photocycloadducts along with novel nine-membered ring products, which are produced by photochemically induced 10 conrotatory ring opening of the initially formed intramolecular [3+2] cycloadducts. The results of solvent effects and fluorescence investigations along with those focusing on corresponding intermolecular photoreactions demonstrate that the photocycloadducts are formed predominantly through an intramolecular exciplex mechanism and that a photoinduced intramolecular electron transfer pathway via zwitterionic biradicals might be partly responsible for the process when CH3CN is the solvent.

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