2-(Dimethylamino)pyrimidine-5-carbaldehyde

Base Information

• Chemical Name: 2-(Dimethylamino)pyrimidine-5-carbaldehyde
• CAS No.: 55551-49-0
• Molecular Formula: C7H9N3O
• Molecular Weight: 151.17
• Hs Code.: 2933599090
• European Community (EC) Number: 800-577-6
• DSSTox Substance ID: DTXSID50355279
• Nikkaji Number: J433.186I
• Wikidata: Q72469224
• Mol file: 55551-49-0.mol

Synonyms:2-(dimethylamino)pyrimidine-5-carbaldehyde;55551-49-0;2-Dimethylamino-pyrimidine-5-carbaldehyde;2-Dimethylaminopyrimidine-5-carbaldehyde;MFCD03446733;2-(DIMETHYLAMINO)-5-PYRIMIDINECARBALDEHYDE;SCHEMBL1134018;DTXSID50355279;XBYXYDVSCMMJDT-UHFFFAOYSA-N;AMY19926;BCP21957;BBL037042;STL560147;AKOS000283865;AB15449;AS-65273;2-dimethylamino-pyrimidine-5-carboxaldehyde;2-(dimethylamino)pyrimidine-5-carboxaldehyde;CS-0151306;FT-0677114;EN300-66937;A18900;D82215;2-(Dimethylamino)pyrimidine-5-carbaldehyde, AldrichCPR;Z274575566

Chemical Property of 2-(Dimethylamino)pyrimidine-5-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.00218mmHg at 25°C
• Melting Point: 122-124 °C
• Refractive Index: 1.609
• Boiling Point: 289.6 °C at 760 mmHg
• PKA: 2.27±0.10(Predicted)
• Flash Point: 128.9 °C
• PSA: 46.09000
• Density: 1.204 g/cm³
• LogP: 0.35510
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 151.074561919
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

98%Min ^*data from raw suppliers

2-(Dimethylamino)pyrimidine-5-carbaldehyde Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-43

MSDS Files:

Useful:

• Canonical SMILES: CN(C)C1=NC=C(C=N1)C=O

Technology Process of 2-(Dimethylamino)pyrimidine-5-carbaldehyde

There total 8 articles about 2-(Dimethylamino)pyrimidine-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: 100.0%

N,N-dimethylammonium chloride (506-59-2) + 2-(methylsulfanyl)pyrimidine-5-carbaldehyde (90905-31-0) → 2-N,N-Dimethylaminopyrimidine-5-carboxaldehyde (55551-49-0)

Guidance literature:

With sodium carbonate; In ethanol; Heating;

Reference yield: 97.7%

2‐chloropyrimidine-5-carbaldehyde (933702-55-7) → 2-N,N-Dimethylaminopyrimidine-5-carboxaldehyde (55551-49-0)

Guidance literature:

With triethylamine; In tetrahydrofuran; 1,4-dioxane;

Reference yield: 97.7%

2‐chloropyrimidine-5-carbaldehyde (933702-55-7) + dimethyl amine (124-40-3) → 2-N,N-Dimethylaminopyrimidine-5-carboxaldehyde (55551-49-0)

Guidance literature:

With triethylamine; In tetrahydrofuran; 1,4-dioxane; for 1h;

upstream raw materials:

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

1,1-dimethylguanidine dihydrogensulfate

N,N-dimethylammonium chloride

2-(methylsulfanyl)pyrimidine-5-carbaldehyde

Downstream raw materials:

(E)-5-(2,6-dichlorostyryl)-2-(N,N-dimethylamino)-pyrimidine

(E)-5-(2-chloro-6-fluorostyryl)-2-(N,N-dimethylamino)-pyrimidine

(E)-5-(2,6-difluorostyryl)-2-(N,N-dimethylamino)pyrimidine

Refernces

• 1、 AlNeyadi, Shaikha S.,Salem, Alaa A.,Ghattas, Mohammad A.,Atatreh, Noor,Abdou, Ibrahim M.. "Antibacterial activity and mechanism of action of the benzazole acrylonitrile-based compounds: In?vitro, spectroscopic, and docking studies". . p. 270 - 282. Retrieved 2017/05/15.
• 2、 -. "HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES". Page/Page column 134. . Retrieved 2015/11/09.