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5-BROMO-2-(METHYLTHIO)PYRIMIDINE is a pyrimidine derivative with the molecular formula C5H5BrN2S, featuring a bromine atom and a methylthio group attached to the pyrimidine ring. It is a chemical compound widely recognized for its role as a building block in the synthesis of biologically active molecules.

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  • 14001-67-3 Structure
  • Basic information

    1. Product Name: 5-BROMO-2-(METHYLTHIO)PYRIMIDINE
    2. Synonyms: 5-BROMO-2-METHYLSULFANYLPYRIMIDINE;5-BROMO-2-(METHYLTHIO)PYRIMIDINE;5-Bromo-2-(methylthio)pyrimidine ,98%;5-broMo-2-MethylpyriMidine-1-thiol;2-Methylsulfanyl-5-broMopyriMidine;5-BroMo-2-(Methylthio)pyriMidine;Pyrimidine, 5-bromo-2-(methylthio)-
    3. CAS NO:14001-67-3
    4. Molecular Formula: C5H5BrN2S
    5. Molecular Weight: 205.08
    6. EINECS: N/A
    7. Product Categories: Pyrimidine;Organohalides;Thio;Building Blocks;Chemical Synthesis;Halogenated Heterocycles;Heterocyclic Building Blocks;Pyrimidines;Heterocycle-Pyrimidine series
    8. Mol File: 14001-67-3.mol
  • Chemical Properties

    1. Melting Point: 63-68℃
    2. Boiling Point: 281.231 °C at 760 mmHg
    3. Flash Point: 123.884 °C
    4. Appearance: White/Crystalline Powder of Flakes
    5. Density: 1.722 g/cm3
    6. Vapor Pressure: 0.00615mmHg at 25°C
    7. Refractive Index: 1.636
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: N/A
    10. PKA: -0.56±0.22(Predicted)
    11. CAS DataBase Reference: 5-BROMO-2-(METHYLTHIO)PYRIMIDINE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 5-BROMO-2-(METHYLTHIO)PYRIMIDINE(14001-67-3)
    13. EPA Substance Registry System: 5-BROMO-2-(METHYLTHIO)PYRIMIDINE(14001-67-3)
  • Safety Data

    1. Hazard Codes: Xi,Xn,C
    2. Statements: 22-34
    3. Safety Statements: 26-36/37/39-45
    4. RIDADR: UN 1759 8/PG 2
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: 8
    8. PackingGroup:
    9. Hazardous Substances Data: 14001-67-3(Hazardous Substances Data)

14001-67-3 Usage

Uses

Used in Pharmaceutical Industry:
5-BROMO-2-(METHYLTHIO)PYRIMIDINE is used as a building block for the synthesis of various pharmaceutical drugs due to its unique chemical structure and reactivity, contributing to the development of new therapeutic agents.
Used in Agrochemical Manufacturing:
In the agrochemical industry, 5-BROMO-2-(METHYLTHIO)PYRIMIDINE serves as an intermediate in the production of agrochemicals, playing a crucial role in the synthesis of compounds that protect crops and enhance agricultural productivity.
Used in Dye Production:
5-BROMO-2-(METHYLTHIO)PYRIMIDINE is utilized as an intermediate in the manufacturing of dyes, where its chemical properties contribute to the creation of colorants for various applications, including textiles and other industrial uses.
Used in Organic Synthesis and Research:
5-BROMO-2-(METHYLTHIO)PYRIMIDINE is employed as a valuable compound in organic synthesis and research, where its unique structure allows for the exploration of new chemical reactions and the development of novel compounds with potential applications in various fields.
Used in Fine Chemicals Production:
In the production of fine chemicals, 5-BROMO-2-(METHYLTHIO)PYRIMIDINE is used as an intermediate, contributing to the synthesis of high-purity specialty chemicals used in various industries, such as pharmaceuticals, fragrances, and flavorings.

Check Digit Verification of cas no

The CAS Registry Mumber 14001-67-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,4,0,0 and 1 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 14001-67:
(7*1)+(6*4)+(5*0)+(4*0)+(3*1)+(2*6)+(1*7)=53
53 % 10 = 3
So 14001-67-3 is a valid CAS Registry Number.
InChI:InChI=1/C5H5BrN2S/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3

14001-67-3 Well-known Company Product Price

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  • Aldrich

  • (705896)  5-Bromo-2-(methylthio)pyrimidine  97%

  • 14001-67-3

  • 705896-1G

  • 928.98CNY

  • Detail

14001-67-3SDS

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 5-Bromo-2-(methylthio)pyrimidine

1.2 Other means of identification

Product number -
Other names 5-bromo-2-methylsulfanylpyrimidine

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:14001-67-3 SDS

14001-67-3Relevant articles and documents

METALLOENZYME INHIBITOR COMPOUNDS

-

Page/Page column 137, (2018/09/28)

Provided are compounds having HDAC6 modulating activity, and methods of treating diseases, disorders or symptoms thereof mediated by HDAC6.

NOVEL COMPOUNDS AS GPR119 AGONISTS

-

Paragraph 0496-0498, (2017/10/26)

The present invention relates to novel compounds of formula (I) as GPR119 agonist, composition compositions containing such compounds and method of preparation thereof.

Pyrimidinylmethylphenyl glucoside as novel C-aryl glucoside SGLT2 inhibitors

Lee, Junwon,Kim, Jong Yup,Choi, Jungsub,Lee, Sung-Han,Kim, Jeongmin,Lee, Jinhwa

experimental part, p. 7046 - 7049 (2010/12/25)

Novel C-aryl glucoside SGLT2 inhibitors containing pyrimidine motif were designed and synthesized for biological evaluation. Among the compounds assayed, pyrimidine containing methylthio moiety 11g demonstrated the best in vitro inhibitory activity against SGLT2 in this series to date (IC50 = 10.7 nM).

AROMATIC COMPOUND

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Page/Page column 59, (2008/12/07)

An aromatic compound represented by the following formula or a pharmaceutically acceptable salt thereof: , wherein ring A is a heterocyclic ring, ring B is a carbocyclic ring, a heterocyclic ring etc., G1, G2, G3, G4 and G5 are CH or N, X is -NH-, -O-, -CH2-, etc., Y is - CH2-,-CO-,-SO2- etc., Z is a single bond, -CO-, -SO2-, -NH-, -O-, -S-, -CONH-,-SO2NH-, etc., R2 is hydrogen, alkyl, alkoxy, halogen, etc., and R3 is carbocyclic group, heterocyclic group, alkyl, etc., is useful as a controlling agent of the function of CCR4 useful for the treatment or therapy for bronchial asthma, atopic dermatitis, etc.

NOVEL HYDANTOIN DERIVATIVES FOR THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES

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Page/Page column 23-24, (2008/06/13)

The invention provides compounds of formula (I), wherein R1 and R2 are as defined in the specification; processes for their preparation; pharmaceutical compositions containing them; a process for preparing the pharmaceutical compositions; and their use in therapy.

Decarboxylation in the synthesis of 4-alkyl-, 4-alkenyl- and 4-acylpyrimidines

Herstad, Gunnar,Benneche, Tore

, p. 219 - 224 (2007/10/03)

Decarboxylation of allylic esters of 4-carboxypyrimidines in toluene at 111°C in the presence of a Pd(0) catalyst, gives a mixture of a 4-alkenylpyrimidine and a pyrimidine unsubstituted in the 4-position. If the decarboxylation is carried out in the presence of benzaldehyde, then benzaldehyde is added to the 4-position. Decarboxylation of 4-carboxypyrimidines in the presence of different electrophiles, results in incorporation of the electrophile into the 4-position together with a pyrimidine unsubstituted in the 4-position. Use of microwave irradiation enhances the rate of the decarboxylations.

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