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126230-73-7

2-(tert-Butyl)pyrimidine-5-carboxylic acid is a pyrimidine derivative with the molecular formula C10H14N2O2. It features a tert-butyl group at the 2-position and a carboxylic acid group at the 5-position of the pyrimidine ring. 2-(tert-Butyl)pyriMidine-5-carboxylic acid is known for its steric hindrance provided by the tert-butyl group, which is useful for blocking undesired reactions, and the carboxylic acid group allows for further functionalization. It is a versatile chemical with potential applications in various fields, including pharmaceutical research and the development of new drugs and agrochemicals.

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  • 126230-73-7 Structure

  • Basic information

    1. Product Name: 2-(tert-Butyl)pyriMidine-5-carboxylic acid
    2. Synonyms: 5-Pyrimidinecarboxylic acid, 2-(1,1-dimethylethyl)-
    3. CAS NO:126230-73-7
    4. Molecular Formula: C9H12N2O2
    5. Molecular Weight: 180.20378
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 126230-73-7.mol

  • Chemical Properties

    1. Melting Point: 170-171 °C(Solv: hexane (110-54-3))
    2. Boiling Point: 304.2±15.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.161±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 2.94±0.10(Predicted)
    10. CAS DataBase Reference: 2-(tert-Butyl)pyriMidine-5-carboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-(tert-Butyl)pyriMidine-5-carboxylic acid(126230-73-7)
    12. EPA Substance Registry System: 2-(tert-Butyl)pyriMidine-5-carboxylic acid(126230-73-7)

  • 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: 126230-73-7(Hazardous Substances Data)

126230-73-7 Usage

Uses

Used in Organic Synthesis:
2-(tert-Butyl)pyrimidine-5-carboxylic acid is used as a building block in organic synthesis for the creation of complex organic molecules. Its unique structural features make it a valuable component in the synthesis of various compounds.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 2-(tert-Butyl)pyrimidine-5-carboxylic acid is used as a key intermediate in the development of new drugs. Its potential applications include the synthesis of therapeutic agents targeting a range of diseases.
Used in Agrochemical Development:
2-(tert-Butyl)pyrimidine-5-carboxylic acid also finds use in the agrochemical sector, where it serves as a precursor in the synthesis of new pesticides and other agricultural chemicals, potentially enhancing crop protection and yield.
Overall, 2-(tert-Butyl)pyrimidine-5-carboxylic acid is a multifaceted compound with a broad spectrum of applications across different industries, primarily due to its chemical properties and structural attributes that facilitate its integration into a variety of molecular frameworks.

Check Digit Verification of cas no

The CAS Registry Mumber 126230-73-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,6,2,3 and 0 respectively; the second part has 2 digits, 7 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 126230-73:
(8*1)+(7*2)+(6*6)+(5*2)+(4*3)+(3*0)+(2*7)+(1*3)=97
97 % 10 = 7
So 126230-73-7 is a valid CAS Registry Number.

126230-73-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-tert-butylpyrimidine-5-carboxylic acid

1.2 Other means of identification

Product number -
Other names 2-t-butylpyrimidine-5-carboxylic acid

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:126230-73-7 SDS

126230-73-7Relevant articles and documents

N-PHENYL-(2R,5S)DIMETHYLPIPERADINE DERIVATIVE

-

Page/Page column 16, (2010/02/12)

The present invention relates to a novel N-phenyl-(2R,5S)dimethylpiperazine derivatives useful as antiandrogenic agent which exhibits a sufficient prostate gland reducing effect as compared with conventional compounds and are excellent in oral activity. The compound of the present application is useful in preventing or treating prostate cancer, benign prostatic hyperplasia, and the like. The present invention also provides a novel intermediate useful in producing the compound of the present invention.

SYNTHESIS OF 1,3-DIHYDROFUROPYRIDINES AND 5,7-DIHYDROFUROPYRIDINES BY INTRAMOLECULAR DIELS-ALDER REACTIONS OF PYRIMIDINES. INVESTIGATION OF THE EFFECT OF STERIC INTERACTIONS ON THE REACTION RATE

Frissen, A. E.,Marcelis, A. T. M.,Buurman, D. G,Pollmann, C. A. M.,Plas, H. C. van der

, p. 5611 - 5620 (2007/10/02)

Several 2- and 5-propynyloxymethylpyrimidines were synthesized and their intramolecular Diels-Alder reaction was studied.The products of the reaction were 5,7-dihydrofuropyridines and 1,3-dihydrofuropyridines, respectively.Introduction of on

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