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CAS

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312263-48-2

5-Pyrimidinecarboxaldehyde, 2-(1-methylethyl)(9CI), also known as isobutyrylpyrimidinecarboxaldehyde, is a chemical compound with the molecular formula C8H10N2O. It is a versatile compound primarily used in the pharmaceutical and agrochemical industries as an intermediate in the synthesis of various pharmaceutical drugs and agrochemical products. Its unique chemical properties and structure make it a promising candidate for the development of new drugs and agricultural products. However, it is important to handle this chemical with caution due to potential health and safety risks if not properly managed.

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  • 312263-48-2 Structure

  • Basic information

    1. Product Name: 5-Pyrimidinecarboxaldehyde, 2-(1-methylethyl)- (9CI)
    2. Synonyms: 5-Pyrimidinecarboxaldehyde, 2-(1-methylethyl)- (9CI);2-isopropylpyrimidine-5-carbaldehyde(SALTDATA: FREE);5-PyriMidinecarboxaldehyde,2-(1-Methylethyl)-
    3. CAS NO:312263-48-2
    4. Molecular Formula: C8H10N2O
    5. Molecular Weight: 150.1778
    6. EINECS: N/A
    7. Product Categories: ALDEHYDE;PYRIMIDINE;ISOPROPYL
    8. Mol File: 312263-48-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 230°C at 760 mmHg
    3. Flash Point: 95.6°C
    4. Appearance: /
    5. Density: 1.091g/cm3
    6. Vapor Pressure: 0.0676mmHg at 25°C
    7. Refractive Index: 1.542
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 0.23±0.22(Predicted)
    11. CAS DataBase Reference: 5-Pyrimidinecarboxaldehyde, 2-(1-methylethyl)- (9CI)(CAS DataBase Reference)
    12. NIST Chemistry Reference: 5-Pyrimidinecarboxaldehyde, 2-(1-methylethyl)- (9CI)(312263-48-2)
    13. EPA Substance Registry System: 5-Pyrimidinecarboxaldehyde, 2-(1-methylethyl)- (9CI)(312263-48-2)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 312263-48-2(Hazardous Substances Data)

312263-48-2 Usage

Uses

Used in Pharmaceutical Industry:
5-Pyrimidinecarboxaldehyde, 2-(1-methylethyl)(9CI) is used as an intermediate in the synthesis of various pharmaceutical drugs. Its unique chemical properties and structure contribute to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
5-Pyrimidinecarboxaldehyde, 2-(1-methylethyl)(9CI) is also used as an intermediate in the synthesis of agrochemical products. Its versatile nature allows for the development of new agricultural products, such as pesticides and herbicides, to improve crop protection and yield.

Check Digit Verification of cas no

The CAS Registry Mumber 312263-48-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,1,2,2,6 and 3 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 312263-48:
(8*3)+(7*1)+(6*2)+(5*2)+(4*6)+(3*3)+(2*4)+(1*8)=102
102 % 10 = 2
So 312263-48-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H10N2O/c1-6(2)8-9-3-7(5-11)4-10-8/h3-6H,1-2H3

312263-48-2SDS

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-propan-2-ylpyrimidine-5-carbaldehyde

1.2 Other means of identification

Product number -
Other names 2-(1-methylethyl)pyrimidine-5-carbaldehyde

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:312263-48-2 SDS

312263-48-2Downstream Products

312263-48-2Relevant articles and documents

Nonpeptide alphavbeta3 antagonists. Part 11: discovery and preclinical evaluation of potent alphavbeta3 antagonists for the prevention and treatment of osteoporosis.

Coleman, Paul J,Brashear, Karen M,Askew, Ben C,Hutchinson, John H,McVean, Carol A,Duong,Feuston, Bradley P,Fernandez-Metzler, Carmen,Gentile, Michael A,Hartman, George D,Kimmel, Donald B,Leu, Chih-Tai,Lipfert, Lorraine,Merkle, Kara,Pennypacker, Brenda,Prueksaritanont, Thomayant,Rodan, Gideon A,Wesolowski, Gregg A,Rodan, Sevgi B,Duggan, Mark E

, p. 4829 - 4837 (2007/10/03)

3-(S)-Pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid (5e) and 3-(S)-(methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid (5f) were identified as potent and selective antagonists of the alpha(v)beta(3) receptor. These compounds have excellent in vitro profiles (IC(50) = 0.07 and 0.08 nM, respectively), significant unbound fractions in human plasma (6 and 4%), and good pharmacokinetics in rat, dog, and rhesus monkey. On the basis of the efficacy shown in an in vivo model of bone turnover following once-daily oral administration, these two compounds were selected for clinical development for the treatment of osteoporosis.

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