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5-(Benzyloxy)-2-(chloromethyl)pyridine is a pyridine derivative chemical compound that features a benzyl ether group and a chloromethyl group attached to the pyridine ring. This unique structure endows it with versatile reactivity, making it a valuable intermediate in the synthesis of pharmaceuticals and agrochemicals. Its ability to participate in various organic reactions and transformations positions it as a crucial building block for the preparation of complex molecules in medicine and agriculture.

127590-90-3

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127590-90-3 Usage

Uses

Used in Pharmaceutical Industry:
5-(Benzyloxy)-2-(chloromethyl)pyridine is used as a synthetic intermediate for the development of new pharmaceutical compounds. Its presence in the molecular structure allows for the creation of diverse drug candidates that can target specific biological pathways or receptors, contributing to the advancement of novel treatments for various diseases and conditions.
Used in Agrochemical Industry:
In the agrochemical sector, 5-(Benzyloxy)-2-(chloromethyl)pyridine is utilized as a precursor in the synthesis of pesticides and other crop protection agents. Its reactivity and structural features enable the design of molecules with enhanced efficacy and selectivity, leading to improved agricultural products that can effectively control pests and diseases while minimizing environmental impact.
Used in Organic Chemistry Research:
5-(Benzyloxy)-2-(chloromethyl)pyridine is also employed as a key building block in organic chemistry research. Its unique structure allows for the exploration of new reaction pathways and the synthesis of complex organic molecules with potential applications in various fields, including materials science, catalysis, and medicinal chemistry.
Used in the Synthesis of Complex Molecules:
Due to its reactivity and structural features, 5-(Benzyloxy)-2-(chloromethyl)pyridine is used as a starting material for the preparation of complex molecules with specific properties and functions. This can include the development of new catalysts, chiral ligands, or other specialty chemicals that can be applied across various industries.
Overall, the diverse applications of 5-(Benzyloxy)-2-(chloromethyl)pyridine highlight its importance as a versatile intermediate in the synthesis of a wide range of compounds, with significant implications for the development of new products in the pharmaceutical, agrochemical, and other related industries.

Check Digit Verification of cas no

The CAS Registry Mumber 127590-90-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,7,5,9 and 0 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 127590-90:
(8*1)+(7*2)+(6*7)+(5*5)+(4*9)+(3*0)+(2*9)+(1*0)=143
143 % 10 = 3
So 127590-90-3 is a valid CAS Registry Number.
InChI:InChI=1/C13H12ClNO/c14-8-12-6-7-13(9-15-12)16-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2

127590-90-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(chloromethyl)-5-phenylmethoxypyridine

1.2 Other means of identification

Product number -
Other names 5-benzyloxy-2-chloromethyl-pyridine

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:127590-90-3 SDS

127590-90-3Relevant academic research and scientific papers

Inhibition of 1-deoxy-d-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies

Deng, Lisheng,Diao, Jiasheng,Chen, Pinhong,Pujari, Venugopal,Yao, Yuan,Cheng, Gang,Crick, Dean C.,Prasad, B. V. Venkataram,Song, Yongcheng

experimental part, p. 4721 - 4734 (2011/09/19)

1-Deoxy-d-xylulose-5-phosphate reductoisomerase (DXR) is a novel target for developing new antibacterial (including antituberculosis) and antimalaria drugs. Forty-one lipophilic phosphonates, representing a new class of DXR inhibitors, were synthesized, among which 5-phenylpyridin-2-ylmethylphosphonic acid possesses the most activity against E. coli DXR (EcDXR) with a K i of 420 nM. Structure-activity relationships (SAR) are discussed, which can be rationalized using our EcDXR:inhibitor structures, and a predictive quantitative SAR (QSAR) model is also developed. Since inhibition studies of DXR from Mycobacterium tuberculosis (MtDXR) have not been performed well, 48 EcDXR inhibitors with a broad chemical diversity were found, however, to generally exhibit considerably reduced activity against MtDXR. The crystal structure of a MtDXR:inhibitor complex reveals the flexible loop containing the residues 198-208 has no strong interactions with the 3,4-dichlorophenyl group of the inhibitor, representing a structural basis for the reduced activity. Overall, these results provide implications in the future design and development of potent DXR inhibitors.

PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME

-

Page/Page column 95, (2009/06/27)

The present invention provides an antifungal agent that has excellent antifungal action, and is also excellent in terms of its properties, safety, and metabolic stability. The present invention discloses a compound represented by the following formula I or a salt thereof, and an antifungal agent comprising the compound or the salt: wherein R1 represents a hydrogen atom, a halogen atom, an amino group, a C1-6 alkyl group, a C1-6 alkoxy group, or a C1-6-alkoxy-C1-6-alkyl group; R2 represents a hydrogen atom or an amino group; X, Y, Z, and W independently represent a nitrogen atom, an oxygen atom, a sulfur atom, or -CH-, provided that at least two among X, Y, and W are nitrogen atoms; the ring A represents a 5- or 6-membered heteroaryl ring or a benzene ring; Q represents a methylene group, an oxygen atom, -CH2O-, -OCH2-, -NH-, -NHCH2-, or -CH2NH-; and R3 represents a C1-6 alkyl group, a C3-8 cycloalkyl group, a C6-10 aryl group, or a 5- or 6-membered heteroaryl group, each of which may have one or two substituents.

Pyridine-2-propanoic acids: Discovery of dual PPARα/γ agonists as antidiabetic agents

Humphries, Paul S.,Almaden, Jonathon V.,Barnum, Sandra J.,Carlson, Thomas J.,Do, Quyen-Quyen T.,Fraser, James D.,Hess, Mary,Kim, Young H.,Ogilvie, Kathleen M.,Sun, Shaoxian

, p. 6116 - 6119 (2008/12/20)

A series of novel pyridine-2-propanoic acids was synthesized. A structure-activity relationship study of these compounds led to the identification of potent dual PPARα/γ agonists with varied isoform selectivity. Based on the results of efficacy studies in

ALPHA SUBSTITUTED CARBOXYLIC ACID AS PPAR MODULATORS

-

Page 115, (2010/02/09)

Alpha substituted carboxylic acids of formula (I): wherein R' and R2 are as defined in the specification and R3 is A) formula (II); B) formula (III); C) formula (IV); and D) formula (V); wherein Y, Art, Are, AP, R4, R5, R6, R7, R6, R9, R9a, R10, R", R12, R17, ring A, and p are as defined in the specification; pharmaceutical compositions containing effective amounts of said compounds or their salts are useful for treating PPAR, specifically PPAR α/y related disorders, such as diabetes, dyslipidemia, obesity and inflammatory disorders.

New κ-Receptor Agonists Based upon a 2-piperidine Nucleus

Scopes, David I. C.,Hayes, Norman F.,Bays, David E.,Belton, David,Brain, John,et al.

, p. 490 - 501 (2007/10/02)

The syntheses of some 1--2-piperidines and their activities as κ-opioid receptor agonists are described.Selected structural modifications are made to the basic moiety and at the 2-, 3-, 4-, 5-, and 6-positions on the piperidine nucleus to enable structure-activity relationships to be delineated.As a result, some highly potent and selective κ-receptor agonists have been identified.In particular, this has been achieved by introduction of oxygen-containing functionality into the 4-position of the piperidine nucleus or the 3-position of the pyrrolidinylmethyl side chain.Thus, 1--2-piperidine (10) possesses high activity in the rabbit vas deferens (LVD, κ-specific tissue) (IC50 = 0.20 nM) and is a potent antinociceptive agent, as determined by the mouse acetylcholine-induced abdominal constriction test (MAC) (ED50 = 0.06 mg/kg, sc).The spirocyclic analogue 8--7-(1-pyrrolidinylmethyl)-1,4-dioxa-8-azaspirodecane (39) showed exceptionally potent activity: LVD, IC50 = 0.10 nM; MAC, ED50 = 0.001 mg/kg, sc.Both 10 and 39 displayed high selectivity for κ-opioid receptors over both μ- and δ-opioid receptor subtypes.

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