2-Phenylpyrimidine-5-carbaldehyde

Base Information

• Chemical Name: 2-Phenylpyrimidine-5-carbaldehyde
• CAS No.: 130161-46-5
• Molecular Formula: C11H8N2O
• Molecular Weight: 184.197
• Hs Code.: 2933599090
• European Community (EC) Number: 853-309-5
• DSSTox Substance ID: DTXSID70356162
• Nikkaji Number: J433.191E
• Wikidata: Q72498585
• ChEMBL ID: CHEMBL4450193
• Mol file: 130161-46-5.mol

Synonyms:2-Phenylpyrimidine-5-carbaldehyde;130161-46-5;2-Phenyl-5-pyrimidinecarboxaldehye;2-Phenylpyrimidine-5-carboxaldehyde;2-Phenyl-pyrimidine-5-carbaldehyde;5-Pyrimidinecarboxaldehyde, 2-phenyl-;SCHEMBL913164;CHEMBL4450193;DTXSID70356162;AUTGLFSBJLERMV-UHFFFAOYSA-N;BCP26382;MFCD03085924;1-(2-phenylpyrimidin-5-yl)methanone;AKOS000283945;AB13093;PS-3777;AM20020380;BB 0256677;CS-0216500;FT-0613317;2-phenylpyrimidine-5-carbaldehyde, AldrichCPR;EN300-45290;J-510271;Z507480728

Chemical Property of 2-Phenylpyrimidine-5-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.0311mmHg at 25°C
• Melting Point: 132.5-134°C
• Refractive Index: 1.621
• Boiling Point: 244 °C at 760 mmHg
• Flash Point: 104.7 °C
• PSA: 42.85000
• Density: 1.205g/cm³
• LogP: 1.95610
• Storage Temp.: 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: 182

Purity/Quality:

98%min ^*data from raw suppliers

2-Phenylpyrimidine-5-carbaldehyde ^*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=C(C=C1)C2=NC=C(C=N2)C=O

Technology Process of 2-Phenylpyrimidine-5-carbaldehyde

There total 9 articles about 2-Phenylpyrimidine-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: 91.0%

2-dimethylaminomethylene-1,3-bis(dimethylimmonio)propane bistetrafluoroborate + benzamidin (618-39-3) → 2-phenylpyrimidine-5-carbaldehyde (130161-46-5)

Guidance literature:

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

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

Reference yield: 84.0%

2-dimethylaminomethylene-1,3-bis(dimethylimonio)propane diperchlorate (2009-81-6) + benzamidine monohydrochloride (1670-14-0) → 2-phenylpyrimidine-5-carbaldehyde (130161-46-5)

Guidance literature:

With ethanol; sodium hydride; In ethanol; Heating;

Reference yield: 82.0%

2-(methylsulfanyl)pyrimidine-5-carbaldehyde (90905-31-0) + phenylboronic acid (98-80-6) → 2-phenylpyrimidine-5-carbaldehyde (130161-46-5)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; water; at 90 ℃; for 1h; Reagent/catalyst; Solvent; Temperature; Catalytic behavior; Microwave irradiation; Inert atmosphere;

DOI:10.1002/ejoc.201403133

upstream raw materials:

triformylmethane

benzamidine monohydrochloride

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

benzamidin

Downstream raw materials:

(E)-2-(5-fluoro-1-((2-phenylpyrimidin-5-yl)methylene)-1H-inden-3-yl)acetic acid

(2E)-3-(2-Phenyl-5-pyrimidinyl)-2-propen-1-ol

Refernces

• 1、 -. "NOVEL SUBSTITUTED HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE". Page/Page column 47-48. . Retrieved 2009/12/05.
• 2、 -. "LACTAM COMPOUNDS AND MEDICINAL USE THEREOF". . . Retrieved 2008/06/13.