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Acetic acid acetoxy-(4-chlorosulfonylphenyl)methyl ester is a chemical compound that belongs to the family of acetic acid esters. It is characterized by its strong herbicidal and pesticidal properties, making it a valuable ingredient in the development of agricultural products. Acetic acid acetoxy-(4-chlorosulfonylphenyl)methyl ester is also utilized in the chemical industry as a reagent in organic synthesis and as a precursor in the production of pharmaceuticals and other organic compounds. However, due to its potential toxicity and irritant nature to the skin and eyes, it requires careful handling.

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  • Acetic acid acetoxy-(4-chlorosulfonylphenyl)methyl ester

    Cas No: 69232-47-9

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  • 69232-47-9 Structure
  • Basic information

    1. Product Name: ACETIC ACID ACETOXY-(4-CHLOROSULFONYLPHENYL)METHYL ESTER
    2. Synonyms: ACETIC ACID ACETOXY-(4-CHLOROSULFONYLPHENYL)METHYL ESTER;(4-(chlorosulfonyl)phenyl)methylene diacetate
    3. CAS NO:69232-47-9
    4. Molecular Formula: C11H11ClO6S
    5. Molecular Weight: 306.72
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 69232-47-9.mol
  • Chemical Properties

    1. Melting Point: 111-113 °C(Solv: acetone (67-64-1); ligroine (8032-32-4))
    2. Boiling Point: 406.457 °C at 760 mmHg
    3. Flash Point: 199.618 °C
    4. Appearance: /
    5. Density: 1.419 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.535
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: ACETIC ACID ACETOXY-(4-CHLOROSULFONYLPHENYL)METHYL ESTER(CAS DataBase Reference)
    11. NIST Chemistry Reference: ACETIC ACID ACETOXY-(4-CHLOROSULFONYLPHENYL)METHYL ESTER(69232-47-9)
    12. EPA Substance Registry System: ACETIC ACID ACETOXY-(4-CHLOROSULFONYLPHENYL)METHYL ESTER(69232-47-9)
  • 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: 69232-47-9(Hazardous Substances Data)

69232-47-9 Usage

Uses

Used in Pesticide and Herbicide Production:
Acetic acid acetoxy-(4-chlorosulfonylphenyl)methyl ester is used as an active ingredient in the production of pesticides and herbicides for agricultural applications. Its strong herbicidal and pesticidal properties contribute to the effectiveness of these products in controlling and eliminating unwanted plants and pests, thereby enhancing crop yield and quality.
Used in Chemical Industry:
In the chemical industry, Acetic acid acetoxy-(4-chlorosulfonylphenyl)methyl ester serves as a reagent in organic synthesis. Its unique chemical structure allows it to participate in various chemical reactions, facilitating the synthesis of a wide range of organic compounds.
Used in Pharmaceutical Production:
Acetic acid acetoxy-(4-chlorosulfonylphenyl)methyl ester is also used as a precursor in the production of pharmaceuticals. Its involvement in the synthesis of various organic compounds makes it a valuable component in the development of new drugs and medications.
Used in Organic Compounds Synthesis:
Acetic acid acetoxy-(4-chlorosulfonylphenyl)methyl ester is utilized in the synthesis of various organic compounds due to its reactivity and unique chemical properties. Its ability to participate in different chemical reactions makes it a versatile building block in the creation of a diverse array of organic molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 69232-47-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,9,2,3 and 2 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 69232-47:
(7*6)+(6*9)+(5*2)+(4*3)+(3*2)+(2*4)+(1*7)=139
139 % 10 = 9
So 69232-47-9 is a valid CAS Registry Number.
InChI:InChI=1/C11H11ClO6S/c1-7(13)17-11(18-8(2)14)9-3-5-10(6-4-9)19(12,15)16/h3-6,11H,1-2H3

69232-47-9SDS

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 [acetyloxy-(4-chlorosulfonylphenyl)methyl] acetate

1.2 Other means of identification

Product number -
Other names (4-(Chlorosulfonyl)phenyl)methylene diacetate

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:69232-47-9 SDS

69232-47-9Relevant articles and documents

SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS

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Page/Page column 71, (2013/10/22)

The present invention belongs to the field of EPl receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EPl receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EPl receptor as well as to pharmaceutical compositions comprising them.

CRTH2 MODULATORS

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Page/Page column 92, (2010/04/27)

Modulators of CRTH2, particularly antagonists of CRTH2, that are useful for treating various disorders, including asthma and respiratory disorders are disclosed. The compounds fall within a genus described by formula I

INDOLIZINE ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS

-

Page/Page column 11, (2008/12/07)

The specific compounds of this list : {7-cyano-2-methyl-1-[4-(morpholine-4-sutfonyl)benzyl]indolizin-3-yl}acetic acid, {1 -(3-chloro-4-ethanesulfonylbenzyl)-7-cyano-2-methylindolizin-3-yl}acetic acid, {1-[3-chloro4-(morpholine-4-sulfonyl)benzyl]-7-cyano-2

METHOD AND COMPOSITIONS FOR TREATING HIV INFECTIONS

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Page/Page column 38, (2008/12/08)

Described herein are compounds and compositions that are useful in the treatment of HIV, AIDS, and AIDS-related diseases. In addition, compounds are described herein that are capable of inhibiting the dimerization of HIV proteases.

Synthesis, antiviral activity, and pharmacokinetic evaluation of P3 pyridylmethyl analogs of oximinoarylsulfonyl HIV-1 protease inhibitors

Randolph, John T.,Huang, Peggy P.,Flosi, William J.,DeGoey, David,Klein, Larry L.,Yeung, Clinton M.,Flentge, Charles,Sun, Mingua,Zhao, Chen,Dekhtyar, Tatyana,Mo, Hongmei,Colletti, Lynn,Kati, Warren,Marsh, Kennan C.,Molla, Akhteruzzaman,Kempf, Dale J.

, p. 4035 - 4046 (2007/10/03)

As a continuation of the recently communicated discovery of oximinoarylsulfonamides as potent inhibitors of HIV-1 aspartyl protease, compounds bearing pyridylmethyl substituents at P3 were designed and synthesized. Potent analogs in this series provided low single-digit nanomolar EC50 values against both wild-type HIV and resistant mutant virus (A17), attenuated some 3- to 12-fold in the presence of 50% human serum. Pharmacokinetic results for compounds in this series showed good to excellent exposure when co-administered orally with an equal amount of ritonavir (5 mg/kg each) in the rat, with average AUC >8 μg h/mL. Similar dosing in dog resulted in significantly lower plasma levels (average AUC i = 2.4 nM).

Structure-based design of novel HIV-1 protease inhibitors to combat drug resistance

Ghosh, Arun K.,Sridhar, Perali Ramu,Leshchenko, Sofiya,Hussain, Azhar K.,Li, Jianfeng,Kovalevsky, Andrey Yu.,Walters, D. Eric,Wedekind, Joseph E.,Grum-Tokars, Valerie,Das, Debananda,Koh, Yasuhiro,Maeda, Kenji,Gatanaga, Hiroyuki,Weber, Irene T.,Mitsuya, Hiroaki

, p. 5252 - 5261 (2008/02/11)

Structure-based design and synthesis of novel HIV protease inhibitors are described. The inhibitors are designed specifically to interact with the backbone of HIV protease active site to combat drug resistance. Inhibitor 3 has exhibited exceedingly potent enzyme inhibitory and antiviral potency. Furthermore, this inhibitor maintains impressive potency against a wide spectrum of HIV including a variety of multi-PI-resistant clinical strains. The inhibitors incorporated a stereochemically defined 5-hexahydrocyclopenta[b] furanyl urethane as the P2-ligand into the (R)-(hydroxyethylamino)sulfonamide isostere. Optically active (3aS,5R,6aR)-5-hydroxy-hexahydrocyclopenta[e]furan was prepared by an enzymatic asymmetrization of meso-diacetate with acetyl cholinesterase, radical cyclization, and Lewis acid-catalyzed anomeric reduction as the key steps. A protein-ligand X-ray crystal structure of inhibitor 3-bound HIV-1 protease (1.35 ? resolution) revealed extensive interactions in the HIV protease active site including strong hydrogen bonding interactions with the backbone. This design strategy may lead to novel inhibitors that can combat drug resistance.

HIV protease inhibiting compounds

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Page/Page column 64, (2010/02/12)

A compound of the formula is disclosed as an HIV protease inhibitor. Methods and compositions for inhibiting an HIV infection are also disclosed.

NOVEL 2-SUBSTITUTED CYCLIC AMINES AS CALCIUM SENSING RECEPTOR MODULATORS

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Page 75 - 76, (2010/02/08)

The present invention relates to modulators of the calcium sensing receptor having the formula I (I) wherein Ar, X, n, R, R, R, and Q are as defined herein.

Copper Complexation by Isatin β-Thiosemicarbazones in Aqueous Solution

Stuenzi, Hans

, p. 2549 - 2561 (2007/10/02)

The reactions in aqueous solution between cupric ion and water-soluble derivatives of the antiviral drug methisazone (1-methylisatin β-thiosemicarbazone, mibt) have been investigated.Alkalimetric titrations and n.m.r. experiments showed that 5-sulfonatoisatin β-thiosemicarbazone, sibt (3), its 1-methyl derivative, msibt (4), and also p-sulfonatobenzaldehyde thiosemicarbazone, sbat (5), reduce cupric ion and form copper(I) complexes.Stability constants were obtained from measurements of pH and pCu+ on solutions of copper(II) nitrate and excess ligand (I = 0.15 M KNO3, at 37 deg).The pCu+ values were obtained with an ORION solid state copper electrode.At pH 6-7.5 and moderate excess of ligand, polymeric complexes with an approximate 1:1 copper(I)-to-ligand ratio are formed: CunLn or CunLn+1H with n > 6.Monomeric complexes CuL23- predominate at higher pH and in the presence of a more than twentyfold excess of ligand.The stability constants log β2 are 17.9 for sibt, 18.5 for msibt and 19.8 for sbat.At physiological pH (7.4), the order of stability is msibt > sibt sbat, with conditional stability constants log β2' = 16.2, 15.7 and 13.4, respectively.Comparison with penicillamine shows that some in vivo complexation of copper(I) by methisazone may be possible.On the other hand, a histidinato-copper(II) complex is formed in the presence of histidine.

Dye substituted cyclic 1,3-sulfur-nitrogen compounds as dye image-forming materials in photography

-

, (2008/06/13)

This invention relates to color providing compounds useful as dye image-forming materials in color photographic processes. These compounds comprise a complete dye, i.e., a dye radical comprising the chromophoric system of a dye, such as, an azo, anthraquinone, azomethine or phthalocyanine dye and a cyclic moiety capable of undergoing cleavage in the presence of silver ion and/or soluble silver complex containing the group STR1 wherein said C atom common to said S and N atoms is a tetrahedral carbon atom possessing 4 single covalent bonds. Preferred compounds comprise the radical of an organic dye substituted with [(L)m-1 -Y] wherein L is a divalent organic linking group containing at least one carbon atom, m is a positive integer 1 or 2, and Y is a cyclic moiety selected from STR2 WHEREIN R1 is hydrogen or a monovalent organic radical; R2 is hydrogen or a monovalent hydrocarbon radical; and Z represents the carbon atoms necessary to complete a ring system having 4 to 20 atoms, said cyclic moiety (a) being attached to a carbon atom of said dye by a single covalent bond when m is 1 and attached to the carbon atom of said linking group L by a single covalent bond when m is 2 and STR3 WHEREIN R1 and Z have the same meaning given above, said cyclic moiety (b) being attached to a carbon atom of said dye by a spiro union when m is 1 and attached to the carbon atom of said linking group L by a spiro union when m is 2.

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