3-Pyrimidin-5-ylbenzaldehyde

Base Information

• Chemical Name: 3-Pyrimidin-5-ylbenzaldehyde
• CAS No.: 640769-70-6
• Molecular Formula: C₁₁H₈N₂O
• Molecular Weight: 184.197
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID40400505
• Wikidata: Q82203509
• Mol file: 640769-70-6.mol

Synonyms:640769-70-6;3-Pyrimidin-5-ylbenzaldehyde;3-(pyrimidin-5-yl)benzaldehyde;3-Pyrimidin-5-yl-benzaldehyde;3-(5-Pyrimidinyl)benzaldehyde;MFCD05864833;SCHEMBL8348566;DTXSID40400505;Benzaldehyde,3-(5-pyrimidinyl)-;RAHJVJBPRWJPHE-UHFFFAOYSA-N;AKOS004117329;DS-9651;SB57766;NCGC00373951-01;3-pyrimidin-5-ylbenzaldehyde, AldrichCPR;SY109757;BB 0222966;CS-0156936;FT-0644810;EN300-745697;A834634;J-510962;Z992240038

Chemical Property of 3-Pyrimidin-5-ylbenzaldehyde

Chemical Property:

• Vapor Pressure: 8.18E-06mmHg at 25°C
• Refractive Index: 1.621
• Boiling Point: 374.7 °C at 760 mmHg
• PKA: 1?+-.0.10(Predicted)
• Flash Point: 183.8 °C
• PSA: 42.85000
• Density: 1.205 g/cm³
• LogP: 1.95610
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 184.063662883
• Heavy Atom Count: 14
• Complexity: 190

Purity/Quality:

98%min ^*data from raw suppliers

3-Pyrimidin-5-ylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C2=CN=CN=C2)C=O

Technology Process of 3-Pyrimidin-5-ylbenzaldehyde

There total 2 articles about 3-Pyrimidin-5-ylbenzaldehyde 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: 90.0%

(3-(pyrimidin-5-yl)phenyl)methanol (852180-75-7) → 3-(pyrimidin-5-yl)-benzaldehyde (640769-70-6)

Guidance literature:

With potassium carbonate; In n-heptane; at 80 ℃; for 24h; under 750.075 Torr;

DOI:10.1016/j.chempr.2021.12.001

Reference yield: 86.0%

→ 3-(pyrimidin-5-yl)-benzaldehyde (640769-70-6)

Guidance literature:

Reference yield:

3-(pyrimidin-5-yl)-benzaldehyde (640769-70-6) + 4-ethenylbenzonitrile (3435-51-6) + thiourea (17356-08-0) → 4-((±)-2-amino-4-(3-(pyrimidin-5-yl)phenyl)-5,6-dihydro-4H-1,3-thiazin-6-yl)benzonitrile

Guidance literature:

With chloro-trimethyl-silane; In N,N-dimethyl-formamide; at 120 ℃;

upstream raw materials:

(3-(pyrimidin-5-yl)phenyl)methanol

Downstream raw materials:

1-(1H-indol-3-yl)-2-((3-methoxyphenyl)amino)-2-(3-(pyrimidin-5-yl)phenyl)ethanone

Refernces

• 1、 -. "PIPERIDINES USEFUL FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS". Page 39; 43. . Retrieved 2008/06/13.