2-Methylpyrimidine-5-carbaldehyde

Base Information

• Chemical Name: 2-Methylpyrimidine-5-carbaldehyde
• CAS No.: 90905-33-2
• Molecular Formula: C6H6N2O
• Molecular Weight: 122.12
• Hs Code.: 2933599090
• European Community (EC) Number: 827-790-7
• DSSTox Substance ID: DTXSID10390282
• Nikkaji Number: J433.189C
• Wikidata: Q72496957
• Mol file: 90905-33-2.mol

Synonyms:2-methylpyrimidine-5-carbaldehyde;90905-33-2;5-Formyl-2-methylpyrimidine;2-Methyl-pyrimidine-5-carbaldehyde;2-METHYL-5-PYRIMIDINECARBALDEHYDE;2-Methyl-pyridine-5-carboxaldehyde;MFCD07186434;2-Methyl-5-pyrimidinecarboxaldehyde;5-PYRIMIDINECARBOXALDEHYDE, 2-METHYL-;2-Methyl pyrimidine-5 carbaldehyde;2-methyl-5-formyl-pyrimidine;SCHEMBL789028;DTXSID10390282;IJBONYUNKRDIFC-UHFFFAOYSA-N;2-methylpyrimidine-5-carboxaldehyde;BCP03539;CS-D1652;2-methyl-pyrimidine-5-carboxaldehyde;STL553933;AKOS000283854;AC-9293;PB13046;DS-13013;SY020293;AM20120311;BB 0256604;FT-0603734;2-Methyl-5-pyrimidinecarbaldehyde, AldrichCPR;EN300-51280;F9995-4188;Z274575088

Chemical Property of 2-Methylpyrimidine-5-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.162mmHg at 25°C
• Melting Point: 68-69 °C
• Refractive Index: 1.568
• Boiling Point: 213.7 °C at 760 mmHg
• PKA: 0.28±0.22(Predicted)
• Flash Point: 85 °C
• PSA: 42.85000
• Density: 1.176 g/cm³
• LogP: 0.59750
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform, Methanol
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 122.048012819
• Heavy Atom Count: 9
• Complexity: 97.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Formyl-2-methylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C=N1)C=O
• Uses: 5-Formyl-2-methylpyrimidine (cas# 90905-33-2) is a compound useful in organic synthesis.

Technology Process of 2-Methylpyrimidine-5-carbaldehyde

There total 6 articles about 2-Methylpyrimidine-5-carbaldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

2-dimethylaminomethylene-1,3-bis(dimethylimmonio)propane bistetrafluoroborate + acetamidine (143-37-3) → 2-methyl-5-pyrimidinecarbaldehyde (90905-33-2)

Guidance literature:

2-dimethylaminomethylene-1,3-bis(dimethylimmonio)propane bistetrafluoroborate; acetamidine; With sodium ethanolate; In ethanol;

With hydrogenchloride; In tetrahydrofuran; ethanol; at 20 ℃;

Reference yield: 52.0%

ethanimidamide hydrochloride + vinamidinium diperchlorate → 2-methyl-5-pyrimidinecarbaldehyde (90905-33-2)

Guidance literature:

ethanimidamide hydrochloride; vinamidinium diperchlorate; With sodium hydroxide; In water; at 30 ℃; for 5h;

With acetic acid; In water; pH=7;

Reference yield: 49.0%

acetamidine hydrochloride (124-42-5) + 2-dimethylaminomethylene-1,3-bis(dimethylimmonio)propane bistetrafluoroborate → 2-methyl-5-pyrimidinecarbaldehyde (90905-33-2)

Guidance literature:

With sodium ethanolate; In ethanol; for 4h; Heating;

DOI:10.1002/anie.200353086

upstream raw materials:

2-dimethylaminomethylene-1,3-bis(dimethylimonio)propane diperchlorate

acetamidine hydrochloride

acetamidine

bromoacetic acid

Downstream raw materials:

(2-methylpyrimidin-5-yl)methanamine

5-(azidomethyl)-2-methylpyrimidine

1-(2-methylpyrimidin-5-yl)ethanamine

5-(Hydroxymethyl)-2-methylpyrimidine

Refernces

• 1、 -. "Benzamides". Paragraph 0120. . Retrieved 2014/05/07.
• 2、 -. "2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof". Page/Page column 29; 30. . Retrieved 2008/12/08.