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3-(2-chlorophenoxy)propionic acid is a synthetic organic compound characterized by the chemical formula C9H9ClO3. It is a chlorophenoxyalkanoic acid derivative of propionic acid, featuring a chlorophenyl group attached to a propionic acid backbone. 3-(2-chlorophenoxy)propionic acid is recognized for its herbicidal properties and potential as an anti-cancer agent.

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  • 7170-45-8 Structure
  • Basic information

    1. Product Name: 3-(2-chlorophenoxy)propionic acid
    2. Synonyms: 3-(2-chlorophenoxy)propionic acid;Einecs 230-521-0;3-(2-Chlorophenoxy)
    3. CAS NO:7170-45-8
    4. Molecular Formula: C9H9ClO3
    5. Molecular Weight: 200.61896
    6. EINECS: 230-521-0
    7. Product Categories: N/A
    8. Mol File: 7170-45-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 305.6°Cat760mmHg
    3. Flash Point: 138.6°C
    4. Appearance: /
    5. Density: 1.311g/cm3
    6. Vapor Pressure: 0.000356mmHg at 25°C
    7. Refractive Index: 1.548
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 4.16±0.10(Predicted)
    11. CAS DataBase Reference: 3-(2-chlorophenoxy)propionic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-(2-chlorophenoxy)propionic acid(7170-45-8)
    13. EPA Substance Registry System: 3-(2-chlorophenoxy)propionic acid(7170-45-8)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 7170-45-8(Hazardous Substances Data)

7170-45-8 Usage

Uses

Used in Agricultural Industry:
3-(2-chlorophenoxy)propionic acid is used as a herbicide for controlling broadleaf weeds in various agricultural crops. It functions by disrupting the growth of these weeds, ultimately causing their death, thereby enhancing crop yield and quality.
Used in Pharmaceutical Research:
3-(2-chlorophenoxy)propionic acid is studied as a potential anti-cancer agent due to its ability to induce apoptosis in cancer cells. This property makes it a subject of interest for the development of new cancer therapies, although further research is required to fully understand its mechanisms and safety profile.
It is crucial to handle 3-(2-chlorophenoxy)propionic acid with care and adhere to proper safety protocols to mitigate any potential health risks associated with its use.

Check Digit Verification of cas no

The CAS Registry Mumber 7170-45-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,1,7 and 0 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 7170-45:
(6*7)+(5*1)+(4*7)+(3*0)+(2*4)+(1*5)=88
88 % 10 = 8
So 7170-45-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H9ClO3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)

7170-45-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(2-chlorophenoxy)propanoic acid

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:7170-45-8 SDS

7170-45-8Relevant articles and documents

Acid activated montmorillonite K-10 mediated intramolecular acylation: Simple and convenient synthesis of 4-chromanones

Begum, Ayisha F.,Balasubramanian, Kalpattu K.,Shanmugasundaram, Bhagavathy

supporting information, (2021/09/13)

3-Aryloxyproionic acids undergo intramolecular cyclization in the presence of AA.Mont.K-10 in toluene under reflux for 30–45 min in good to excellent yields. Phenyl ring bearing various substituents at the ortho, meta, para positions undergo this cyclization reaction. This method involves simple work up and amenable for large scale preparations. The heterogeneous acid treated catalyst can be regenerated and used for up to three cycles with minimum loss of activity.

Synthesis of a P-Glycoprotein Inhibitor and Its High-Energy (Z)-Isomer by Carbenoid Eliminative Cross-Coupling

Tanpure, Subhash D.,El-Mansy, Mohamed F.,Blakemore, Paul R.

supporting information, p. 2999 - 3003 (2020/04/10)

To gauge the feasibility of carbenoid eliminative cross-coupling for the synthesis of polyfunctional alkenes, a P-glycoprotein inhibitor containing an (E)-configured 4-chromanylidene-type trisubstituted olefin was prepared as well as its previously undescribed (Z)-isomer. Stereospecific alkene synthesis required generation of functionalized enantioenriched α-metalated carbamates [R1R2CM(O2CNi-Pr2), M = Li or Bneo], and problems associated with incorrect lithiation regioselectivity and unexpected organolithium configurational lability were encountered. Solutions to these difficulties are described together with a method for ee determination of α-carbamoyloxyboronates.

Copper-Catalyzed Asymmetric Hydroboration of 2 H-Chromenes Using a Chiral Diphosphine Ligand

Li, Xiufen,Wang, Chaoqiong,Song, Jianqiao,Yang, Zhihong,Zi, Guofu,Hou, Guohua

, p. 8638 - 8645 (2019/08/30)

A highly regioselective asymmetric hydroboration of 2H-chromenes catalyzed by the complex of CuCl and diphosphine ligand (S,R)-DuanPhos has been realized under mild conditions to produce 3-boryl chromans, achieving good yields and excellent enantioselectivities up to 96% ee. This work provides an efficient approach to the synthesis of chiral 3-boryl chromans and derivatives.

Synthesis, evaluation and in silico molecular modeling of pyrroyl-1,3,4-thiadiazole inhibitors of InhA

Joshi, Shrinivas D.,More, Uttam A.,Koli, Deepshikha,Kulkarni, Manoj S.,Nadagouda, Mallikarjuna N.,Aminabhavi, Tejraj M.

, p. 151 - 167 (2015/03/30)

Enoyl acyl carrier protein reductase (ENR) is an essential type II fatty acid synthase (FAS-II) pathway enzyme that is an attractive target for designing novel antitubercular agents. Herein, we report sixty-eight novel pyrrolyl substituted aryloxy-1,3,4-thiadiazoles synthesized by three-step optimization processes. Three-dimensional quantitative structure-activity relationships (3D-QSAR) were established for pyrrolyl substituted aryloxy-1,3,4-thiadiazole series of InhA inhibitors using the comparative molecular field analysis (CoMFA). Docking analysis of the crystal structure of ENR performed by using Surflex-Dock in Sybyl-X 2.0 software indicates the occupation of pyrrolyl substituted aryloxy 1,3,4-thiadiazole into hydrophobic pocket of InhA enzyme. Based on docking and database alignment rules, two computational models were established to compare their statistical results. The analysis of 3D contour plots allowed us to investigate the effect of different substituent groups at different positions of the common scaffold. In vitro testing of ligands using biological assays substantiated the efficacy of ligands that were screened through in silico methods.

Design and synthesis of HIV-1 protease inhibitors for a long-acting injectable drug application

Kesteleyn, Bart,Amssoms, Katie,Schepens, Wim,Hache, Geerwin,Verschueren, Wim,Van De Vreken, Wim,Rombauts, Klara,Meurs, Greet,Sterkens, Patrick,Stoops, Bart,Baert, Lieven,Austin, Nigel,Wegner, J?rg,Masungi, Chantal,Dierynck, Inge,Lundgren, Stina,J?nsson, Daniel,Parkes, Kevin,Kalayanov, Genadiy,Wallberg, Hans,Rosenquist, ?sa,Samuelsson, Bertil,Van Emelen, Kristof,Thuring, Jan Willem

, p. 310 - 317 (2013/02/25)

The design and synthesis of novel HIV-1 protease inhibitors (PIs) (1-22), which display high potency against HIV-1 wild-type and multi-PI-resistant HIV-mutant clinical isolates, is described. Lead optimization was initiated from compound 1, a Phe-Phe hydroxyethylene peptidomimetic PI, and was directed towards the discovery of new PIs suitable for a long-acting (LA) injectable drug application. Introducing a heterocyclic 6-methoxy-3-pyridinyl or a 6-(dimethylamino)-3-pyridinyl moiety (R3) at the para-position of the P1′ benzyl fragment generated compounds with antiviral potency in the low single digit nanomolar range. Halogenation or alkylation of the metabolic hot spots on the various aromatic rings resulted in PIs with high stability against degradation in human liver microsomes and low plasma clearance in rats. Replacing the chromanolamine moiety (R1) in the P2 protease binding site by a cyclopentanolamine or a cyclohexanolamine derivative provided a series of high clearance PIs (16-22) with EC50s on wild-type HIV-1 in the range of 0.8-1.8 nM. PIs 18 and 22, formulated as nanosuspensions, showed gradual but sustained and complete release from the injection site over two months in rats, and were therefore identified as interesting candidates for a LA injectable drug application for treating HIV/AIDS.

5-AMINO- 4-HYDROXYPENTOYL AMIDES

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Page/Page column 29, (2011/06/26)

HIV inhibitors of formula (I) wherein R1 is halo, C1-4alkoxy, trifluoromethoxy; R2 is a group of formula (A); R3 is a group of formula (B); R4 is a group of formula (C); n is 0 or 1; A is CH or N; R5 and R6 are hydrogen, C1-4alkyl, halo; R7 and R8 are C1-4alkyl or C1-4alkoxyC1-4alkyl; R9 is C1-4alkyl, cyclopropyl, trifluoromethyl, C1-4alkoxy, or dimethylamino; R10 is hydrogen, C1-4alkyl, cyclopropyl, trifluoromethyl, C1-4alkoxy, or dimethylamino; pharmaceutically acceptable addition salts and solvates thereof; pharmaceutical compositions containing these compounds as active ingredient and processes for preparing said compounds.

SYNTHESIS OF PROPYL PHENOXY ETHERS AND USE AS DELIVERY AGENTS

-

Page/Page column 18, (2008/06/13)

The present invention provides propyl phenoxy ether compounds and pharmaceutically acceptable salts thereof, compositions containing the same and one or more active agents, and methods of administering active agents with the same. The delivery agents of the present invention are well suited for forming non-covalent mixtures with active agents for oral, iπtracolonic, pulmonary, and other routes of administration to animals.

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