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Pyrimidine, 4-(bromomethyl)-2-chloro(9CI) is a chemical compound characterized by the presence of a pyrimidine ring with a bromomethyl and chloro group attached to it. This unique structure and reactivity make it a valuable building block in the synthesis of various pharmaceuticals and agrochemicals, as well as a promising candidate in the development of new therapeutic agents and organic and medicinal chemistry research.

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  • 181363-06-4 Structure
  • Basic information

    1. Product Name: Pyrimidine, 4-(bromomethyl)-2-chloro- (9CI)
    2. Synonyms: Pyrimidine, 4-(bromomethyl)-2-chloro- (9CI);Pyrimidine,4-(bromomethyl)-2-chloro-;4-(Bromomethyl)pyrimidine
    3. CAS NO:181363-06-4
    4. Molecular Formula: C5H4BrClN2
    5. Molecular Weight: 207.45566
    6. EINECS: N/A
    7. Product Categories: PYRIMIDINE
    8. Mol File: 181363-06-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 315.3 °C at 760 mmHg
    3. Flash Point: 144.5 °C
    4. Appearance: /
    5. Density: 1.768
    6. Vapor Pressure: 0.000814mmHg at 25°C
    7. Refractive Index: 1.597
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: Pyrimidine, 4-(bromomethyl)-2-chloro- (9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: Pyrimidine, 4-(bromomethyl)-2-chloro- (9CI)(181363-06-4)
    12. EPA Substance Registry System: Pyrimidine, 4-(bromomethyl)-2-chloro- (9CI)(181363-06-4)
  • 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: 181363-06-4(Hazardous Substances Data)

181363-06-4 Usage

Uses

Used in Pharmaceutical Industry:
Pyrimidine, 4-(bromomethyl)-2-chloro(9CI) is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its unique structure and reactivity contribute to the creation of new and innovative chemical structures with potential biological activity.
Used in Development of New Therapeutic Agents:
Pyrimidine, 4-(bromomethyl)-2-chloro(9CI) is employed in the development of new therapeutic agents, leveraging its unique structure and reactivity to create novel chemical entities with potential applications in medicine.
Used in Organic and Medicinal Chemistry Research:
Pyrimidine, 4-(bromomethyl)-2-chloro(9CI) is utilized in organic and medicinal chemistry research to explore its potential applications and properties, further expanding the understanding of its role in the synthesis of biologically active compounds.
It is important to handle Pyrimidine, 4-(bromomethyl)-2-chloro(9CI) with care, as it may possess hazardous properties.

Check Digit Verification of cas no

The CAS Registry Mumber 181363-06-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,1,3,6 and 3 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 181363-06:
(8*1)+(7*8)+(6*1)+(5*3)+(4*6)+(3*3)+(2*0)+(1*6)=124
124 % 10 = 4
So 181363-06-4 is a valid CAS Registry Number.
InChI:InChI=1/C5H4BrClN2/c6-3-4-1-2-8-5(7)9-4/h1-2H,3H2

181363-06-4SDS

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 4-(Bromomethyl)-2-chloropyrimidine

1.2 Other means of identification

Product number -
Other names 4-bromomethyl-2-chloropyrimidine

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:181363-06-4 SDS

181363-06-4Downstream Products

181363-06-4Relevant articles and documents

MCL1 INHIBITORS AND USES THEREOF

-

, (2021/04/10)

The present disclosure provides compounds, such as compounds of Formula I, and compositions that are MCL1 inhibitors.

ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE

-

Paragraph 1074; 1075, (2020/05/06)

The present invention relates to compounds of formula (I)-(VI) and/or (A)-(H-I), or any subgenera thereof, or a pharmaceutically acceptable salt, tautomer or stereoisomer. The compounds of the present disclosure are useful in modulating androgen receptor activity and for treating cancer including prostate cancer.

Design, synthesis, and structure-activity-relationship of a novel series of CXCR4 antagonists

Li, Zhanhui,Wang, Yujie,Fu, Chunyan,Wang, Xu,Wang, Jun Jun,Zhang, Yi,Zhou, Dongping,Zhao, Yuan,Luo, Lusong,Ma, Haikuo,Lu, Wenfeng,Zheng, Jiyue,Zhang, Xiaohu

, p. 30 - 44 (2018/03/01)

The important roles of the CXCL12/CXCR4 axis in numerous pathogenic pathways involving HIV infection and cancer metastasis make the CXCR4 receptor an attractive target for the development of therapeutic agents. Through scaffold hybridization of a few known CXCR4 antagonists, a series of novel aminopyrimidine derivatives was developed. Compound 3 from this new scaffold demonstrates excellent binding affinity with CXCR4 receptor (IC50 = 54 nM) and inhibits CXCL12 induced cytosolic calcium increase (IC50 = 2.3 nM). Furthermore, compound 3 possesses good physicochemical properties (MW 353, clogP 2.0, PSA 48, pKa 6.7) and exhibits minimal hERG and CYP isozyme (e.g. 3A4, 2D6) inhibition. Collectively, these results strongly support further optimization of this novel scaffold to develop better CXCR4 antagonists.

Enantioselective α-benzylation of aldehydes via photoredox organocatalysis

Shih, Hui-Wen,Vander Wal, Mark N.,Grange, Rebecca L.,MacMillan, David W. C.

supporting information; experimental part, p. 13600 - 13603 (2010/11/18)

The first enantioselective aldehyde α-benzylation using electron-deficient aryl and heteroaryl substrates has been accomplished. The productive merger of a chiral imidazolidinone organocatalyst and a commercially available iridium photoredox catalyst in the presence of household fluorescent light directly affords the desired homobenzylic stereogenicity in good to excellent yield and enantioselectivity. The utility of this methodology has been demonstrated via rapid access to an enantioenriched drug target for angiogenesis suppression.

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