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1-Bromo-2,4-dimethoxy-5-(1,3-dioxolan-2-yl)benzene, also known as 2-Bromo-4,5-dimethoxy-1-(1,3-dioxolan-2-yl)benzene, is a chemical compound characterized by the presence of a bromine atom, two methoxy groups, and a dioxolane ring attached to a benzene ring. It serves as a versatile intermediate in the pharmaceutical and chemical industries, facilitating the synthesis of a range of compounds. 1-BROMO-2,4-DIMETHOXY-5-(1,3-DIOXOLAN-2-YL)BENZENE also exhibits mild sedative and anxiolytic properties, which positions it as a candidate for the development of medications aimed at treating anxiety and related disorders. However, due to its potential for harmful effects if ingested, inhaled, or absorbed through the skin, as well as its potential to cause irritation to the eyes and skin, it requires careful handling and the implementation of appropriate safety measures.

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  • 552845-84-8 Structure
  • Basic information

    1. Product Name: 1-BROMO-2,4-DIMETHOXY-5-(1,3-DIOXOLAN-2-YL)BENZENE
    2. Synonyms: RARECHEM AL BP 0685;1-BROMO-2,4-DIMETHOXY-5-(1,3-DIOXOLAN-2-YL)BENZENE;2-(5-BROMO-2,4-DIMETHOXY-PHENYL)-[1,3]DIOXOLANE
    3. CAS NO:552845-84-8
    4. Molecular Formula: C11H13BrO4
    5. Molecular Weight: 289.12
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 552845-84-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 353.108°C at 760 mmHg
    3. Flash Point: 144.036°C
    4. Appearance: /
    5. Density: 1.452g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.54
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-BROMO-2,4-DIMETHOXY-5-(1,3-DIOXOLAN-2-YL)BENZENE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-BROMO-2,4-DIMETHOXY-5-(1,3-DIOXOLAN-2-YL)BENZENE(552845-84-8)
    12. EPA Substance Registry System: 1-BROMO-2,4-DIMETHOXY-5-(1,3-DIOXOLAN-2-YL)BENZENE(552845-84-8)
  • 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: 552845-84-8(Hazardous Substances Data)

552845-84-8 Usage

Uses

Used in Pharmaceutical Industry:
1-Bromo-2,4-dimethoxy-5-(1,3-dioxolan-2-yl)benzene is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure allows for the creation of new medications, particularly those intended to address anxiety and related disorders, due to its mild sedative and anxiolytic effects.
Used in Chemical Industry:
In the chemical industry, 1-Bromo-2,4-dimethoxy-5-(1,3-dioxolan-2-yl)benzene is utilized as a key component in the production of a variety of chemical substances. Its structural features make it a valuable building block for the development of new chemical entities with diverse applications.

Check Digit Verification of cas no

The CAS Registry Mumber 552845-84-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,5,2,8,4 and 5 respectively; the second part has 2 digits, 8 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 552845-84:
(8*5)+(7*5)+(6*2)+(5*8)+(4*4)+(3*5)+(2*8)+(1*4)=178
178 % 10 = 8
So 552845-84-8 is a valid CAS Registry Number.
InChI:InChI=1/C11H13BrO4/c1-13-9-6-10(14-2)8(12)5-7(9)11-15-3-4-16-11/h5-6,11H,3-4H2,1-2H3

552845-84-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(5-bromo-2,4-dimethoxyphenyl)-1,3-dioxolane

1.2 Other means of identification

Product number -
Other names 2-(5-bromo-2,4-DIMETHOXYPHENYL)[1,3]dioxolane

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:552845-84-8 SDS

552845-84-8Relevant articles and documents

Dicarbaporphyrinoid systems. Synthesis of oxo-adj-dibenziphlorins

Abusalim, Deyaa I.,Merfeld, Michelle L.,Lash, Timothy D.

, p. 10360 - 10368 (2013/11/06)

A series of diformylbenzophenones were generated by sequentially reacting protected bromobenzaldehydes with n-butyllithium and ethyl N,N- dimethylcarbamate. The acetal protective groups were cleaved with refluxing formic acid. Vilsmeier-Haack formylation of 2,2′,4,4′- tetramethoxybenzophenone also afforded a related dialdehyde. MacDonald "2 + 2" condensation of three benzophenone dialdehydes with a dipyrrylmethane gave oxophlorin analogues constructed from two benzene and two pyrrole rings. The free base oxodibenziphlorins were rather unstable in solution, and in most cases these porphyrinoids were isolated as the corresponding trifluoroacetate salts. The spectroscopic properties of 6-oxo-adj-dibenziphlorins are consistent with a nonaromatic ring system. DFT calculations indicated that the macrocycles considerably diverge from planarity, particularly when methoxy substituents are present on the arene rings.

Carboxylated, heteroaryl-substituted chalcones as inhibitors of vascular cell adhesion molecule-1 expression for use in chronic inflammatory diseases

Meng, Charles Q.,Ni, Liming,Worsencroft, Kimberly J.,Ye, Zhihong,Weingarten, M. David,Simpson, Jacob E.,Skudlarek, Jason W.,Marino, Elaine M.,Suen, Ki-Ling,Kunsch, Charles,Souder, Amy,Howard, Randy B.,Sundell, Cynthia L.,Wasserman, Martin A.,Sikorski, James A.

, p. 1304 - 1315 (2008/02/02)

Starting from a simple chalcone template, structure-activity relationship (SAR) studies led to a series of carboxylated, heteroaryl-substituted chalcone derivatives as novel, potent inhibitors of vascular cell adhesion molecule-1 (VCAM-1) expression. Corr

PROCESS OF MAKING CHALCOME DERIVATIVES

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Page 73, (2010/02/07)

This invention is a novel methods of manufacturing chalcones that includes reacting a carbon-linked heteroaryl or heterocyclic substituted benzaldehyde with an acetophenone in a solvent or mixture of solvents in the presence of LiOMe. Also provided are new chalcones for the treatment of medical conditions.

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