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1-[4-(3-CHLOROPROPOXY)-2-HYDROXYPHENYL]-1-ETHANONE is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 172739-45-6 Structure
  • Basic information

    1. Product Name: 1-[4-(3-CHLOROPROPOXY)-2-HYDROXYPHENYL]-1-ETHANONE
    2. Synonyms: 1-[4-(3-CHLOROPROPOXY)-2-HYDROXYPHENYL]-1-ETHANONE;1-[4-(3-CHLOROPROPOXY)-2-HYDROXYPHENYL]ETHANONE;1-(4-(3-chloropropoxy)-2-hydroxyphenyl)ethanone(WX191562)
    3. CAS NO:172739-45-6
    4. Molecular Formula: C11H13ClO3
    5. Molecular Weight: 228.67
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 172739-45-6.mol
  • Chemical Properties

    1. Melting Point: 73-74°
    2. Boiling Point: 388.2±27.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.217±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 9.77±0.10(Predicted)
    10. CAS DataBase Reference: 1-[4-(3-CHLOROPROPOXY)-2-HYDROXYPHENYL]-1-ETHANONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-[4-(3-CHLOROPROPOXY)-2-HYDROXYPHENYL]-1-ETHANONE(172739-45-6)
    12. EPA Substance Registry System: 1-[4-(3-CHLOROPROPOXY)-2-HYDROXYPHENYL]-1-ETHANONE(172739-45-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 172739-45-6(Hazardous Substances Data)

172739-45-6 Usage

Preparation

Preparation by reaction of 1-bromo-3-chloropropane with resacetophenone, in the presence of potassium carbonate in refluxing acetone for 5 h (84%).

Check Digit Verification of cas no

The CAS Registry Mumber 172739-45-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,2,7,3 and 9 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 172739-45:
(8*1)+(7*7)+(6*2)+(5*7)+(4*3)+(3*9)+(2*4)+(1*5)=156
156 % 10 = 6
So 172739-45-6 is a valid CAS Registry Number.

172739-45-6SDS

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 1-[4-(3-Chloropropoxy)-2-hydroxyphenyl]ethanone

1.2 Other means of identification

Product number -
Other names 1-<4-(3-chloropropoxy)-2-hydroxyphenyl>-1-ethanone

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:172739-45-6 SDS

172739-45-6Relevant articles and documents

Novel aminothiazolyl-functionalized phosphonium ionic liquid as a scavenger for toxic metal ions from aqueous media; mining to useful antibiotic candidates

Alahmadi, Nadiyah S.,Elshaarawy, Reda F.M.

, p. 451 - 460 (2019)

Heavy metal ions (HMIs) induce sever toxic and carcinogenic aspects through many mechanisms, which are not still understood. Therefore, the aim of this paper is to explorer new simple and efficient HMIs scavenger. In this endeavor, we have successfully fa

Polyphosphonium-oligochitosans decorated with nanosilver as new prospective inhibitors for common human enteric viruses

Sofy, Ahmed R.,Hmed, Ahmed A.,Abd El Haliem, Naglaa F.,Zein, Mohamed A.-E.,Elshaarawy, Reda F.M.

, (2019)

The main objective of this work to explore new safe antiviral agents against hepatitis A virus (HAV), norovirus (NoV) and Coxsackievirus B4 (CoxB4) infections. In this context, we have successfully prepared new polyquaternary phosphonium oligochitosans (P

Natural Products as Sources of New Fungicides (I): Synthesis and Antifungal Activity of Acetophenone Derivatives Against Phytopathogenic Fungi

Ma, Ya-Tuan,Fan, Hua-Fang,Gao, Yu-Qi,Li, He,Zhang, An-Ling,Gao, Jin-Ming

, p. 545 - 552 (2013/06/05)

Several series of 45 acetophenone derivatives bearing various alkyl or benzyl substituents were conveniently synthesized and their structures characterized by 1H and 13C NMR spectroscopy, HRMS and single-crystal X-ray analysis. Their in vitro antifungal activities against a panel of phytopathogenic fungi were evaluated by mycelial growth rate assay. Of them, 12 derivatives (e.g., 3a-c, 4c and 4e) exhibited more potent antifungal effects on some phytopathogens than a commercial fungicide hymexazol as positive control. In particular, compound 3b with IC50 values of 10-19μg/mL was found to be the most active in this series and might be a potential lead structure for further optimization. The preliminary structure-activity relationship (SAR) studies of a series of acetophenones are also discussed. A series of acetophenone derivatives have been synthesized and tested for their antifungal activities. Of them 12 derivatives exhibited more potent antifungal effects on some phytopathogens than a positive control hymexazol. Especially, compound 3b (IC50=10-19μg/mL) was found to be the most active and might be a potential lead structure. The SAR of these acetophenones is also discussed.

Homopterocarpanes as bridged triarylethylene analogues: Synthesis and antagonistic effects in human MCF-7 breast cancer cells

Rampa, Angela,Bisi, Alessandra,Belluti, Federica,Gobbi, Silvia,Piazzi, Lorna,Valenti, Piero,Zampiron, Antonella,Caputo, Anna,Varani, Katia,Borea, Pier Andrea,Carrara, Maria

, p. 135 - 147 (2007/10/03)

A series of new compounds structurally derived from 6a,12a-dihydro-6H,7H- [1]-benzopyran-[4,3-b]-benzopyran (homopterocarpane) was efficiently synthesized by reduction of the corresponding pyrilium salts obtained by treatment of selected flavanones and aldehydes with anhydrous HClO4. Cytotoxic effects on the human breast cancer cell line MCF-7 and antiestrogenic activity (only for compounds which resulted more active than tamoxifen (TAM)) on MCF-7 cells stimulated by 17β-estradiol were evaluated. In vivo antiestrogenic activity and the relative binding affinity were also assessed. Some of the new compounds (4c, 4h, 4i and 4l) showed a biological activity in the micromolar range, and were more potent than TAM taken as the reference.

7-[3-(1-piperidinyl)propoxy]chromenones as potential atypical antipsychotics. 2. Pharmacological profile of 7-[3-[4-(6-fluoro-1,2- benzisoxazol-3-yl)piperidin-1-yl] propoxy]-3-(hydroxymethyl)chromen-4-one (abaperidone, FI-8602)

Bolós, Jordi,Anglada, Lluís,Gubert, Santiago,Planas, Josep M.,Agut, Julián,Príncep, Marta,De La Fuente, àngels,Sacristán, Aurelio,Ortiz, José A.

, p. 5402 - 5409 (2007/10/03)

A series of novel 7-[3-(1-piperidinyl)propoxy]chromenones was synthesized and tested as potential antipsychotics in several in vitro and in vive assays. The compounds possessed good affinity for D2 receptors, together with a greater affinity for 5-HT2 receptors, a profile which has been proposed as a model for atypical antipsychotics. Several agents also displayed a high potency in the climbing mice assay on oral administration, suggesting a potent antipsychotic effect as compared to reference standards. Compound 23 was selected for further pharmacological evaluation. Induction of catalepsy and inhibition of stereotypies weaker than standards, along with a lower increase in serum prolactin levels, were indicative of a potential atypical profile for this compound. From these results, 7-[3-[4-(6-fluoro- 1,2-benzisoxazol-3-yl)piperidin1-yl]propoxy]-3-(hydroxymethyl)chromen-4-one (23, abaperidone) has been proposed for clinical evaluation in humans as a potential atypical antipsychotic.

4-p-fluorobenzoyl-1-piperidinyl-propoxy-chromen-4-one derivatives, their preparation and their use in the treatment of psychosis and schizophrenia

-

, (2008/06/13)

The present invention relates to new chromene compounds of the general formula (I): STR1 wherein R1 and R2 are hydrogen, alkyl having from 1 to 4 carbon atoms, halogen, trifluoromethyl, optionally substituted phenyl, or hydroxymethyl

7-[3-(1-piperidinyl)propoxy]chromenones as potential atypical antipsychotics

Bolós, Jordi,Gubert, Santiago,Anglada, Lluís,Planas, Josep M.,Burgarolas, Carme,Castelló, Josep M.,Sacristán, Aurelio,Ortiz, José A.

, p. 2962 - 2970 (2007/10/03)

Compound 1 (1-benzyl-3-methyl-4-[4-(4-fluorophenyl)-4- oxobutyl]piperazine), a synthetic intermediate identified as a potential atypical antipsychotic, was selected as the starting point for pharmacological improvement. From 1, sequential structural variations were conducted in order to improve its potency and oral bioavailability. These variations included a series of piperazine, ethanediamine, and piperidine derivatives. The piperidine series afforded some orally potent compounds in the inhibition of apomorphine-induced climbing and hyperactivity in mice, which are regarded as behavioral models predictive of antipsychotic efficacy. Further optimization of these structures led to the highly potent 7-[3-(1- piperidinyl)propoxy]chromenones. Inhibition of stereotypies and induction of catalepsy in rats at doses substantially higher than required for inhibition of climbing suggest an atypical antipsychotic profile, which is assumed to predict a reduced induction of extrapyramidal side effects in humans.

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