Ethyl 2-phenylpyrimidine-5-carboxylate

Base Information

• Chemical Name: Ethyl 2-phenylpyrimidine-5-carboxylate
• CAS No.: 85386-14-7
• Molecular Formula: C13H12N2O2
• Molecular Weight: 228.25
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID70440772
• Nikkaji Number: J284.720E
• Wikidata: Q72498595
• Mol file: 85386-14-7.mol

Synonyms:Ethyl 2-phenylpyrimidine-5-carboxylate;85386-14-7;ethyl2-phenylpyrimidine-5-carboxylate;SCHEMBL8546622;2-phenyl-5-carbethoxypyrimidine;DTXSID70440772;ADXNMWBLJLAMNG-UHFFFAOYSA-N;MFCD09863207;AKOS005146381;ME-0702;SB60663;AM20041245;CS-0151704;FT-0682726;2-Phenylpyrimidine-5-carboxylic acid ethyl ester;J-520789

Chemical Property of Ethyl 2-phenylpyrimidine-5-carboxylate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 93-95 °C
• Boiling Point: 297.683oC at 760 mmHg
• PKA: -0.60±0.22(Predicted)
• Flash Point: 133.834oC
• PSA: 52.08000
• Density: 1.167g/cm3
• LogP: 2.32030
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 228.089877630
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2-phenylpyrimidine-5-carboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-phenylpyrimidine-5-carboxylate

There total 18 articles about Ethyl 2-phenylpyrimidine-5-carboxylate 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: 81.0%

ethanol (64-17-5) + 2-phenylpyrimidine-5-carbonitrile (85386-15-8) → 2-phenylpyrimidine-5-carboxylic acid ethyl ester (85386-14-7)

Guidance literature:

With hydrogenchloride; 1) 5 deg C, 4 h 2) room temperature, 4 days;

DOI:10.1007/BF00475329

Reference yield: 75.0%

benzamidine monohydrochloride (1670-14-0) + ethyl 3-(dimethylamino)-2-formylprop-2-enoate (92385-43-8) → 2-phenylpyrimidine-5-carboxylic acid ethyl ester (85386-14-7)

Guidance literature:

With sodium; In ethanol; for 1h; Heating;

DOI:10.1021/jm0001626

Reference yield: 65.0%

ethyl 2-chloropyrimidine-5-carboxylate (89793-12-4) + phenylboronic acid (98-80-6) → 2-phenylpyrimidine-5-carboxylic acid ethyl ester (85386-14-7)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,4-dioxane; at 100 ℃;

upstream raw materials:

ethanol

2-phenylpyrimidine-5-carboxylic acid

2-phenylpyrimidine-5-carbonitrile

5-amidino-2-phenylpyrimidine hydrochloride

Downstream raw materials:

2-phenylpyrimidine-5-carbohydrazide

N′-(4-(dimethylamino)benzylidene)-2-phenylpyrimidine-5-carbohydrazide

2-phenylpyrimidine

2-phenylpyrimidine-5-carbonyl chloride