4-Ethylpyrimidine

Base Information

• Chemical Name: 4-Ethylpyrimidine
• CAS No.: 30537-73-6
• Molecular Formula: C6H8N2
• Molecular Weight: 108.14100
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID20451550
• Nikkaji Number: J498.169C
• Wikidata: Q82271625
• Mol file: 30537-73-6.mol

Synonyms:4-ethylpyrimidine;30537-73-6;Pyrimidine, 4-ethyl-;SCHEMBL250764;DTXSID20451550;VCPXZIUQCXEVCU-UHFFFAOYSA-N;MFCD18449377;AKOS006371977;SB56660;CS-0045827;FT-0741222;F17281;EN300-1087148;Z1198725956

Chemical Property of 4-Ethylpyrimidine

Chemical Property:

• PSA: 25.78000
• LogP: 1.03900
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 108.068748264
• Heavy Atom Count: 8
• Complexity: 63.5

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-Ethylpyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC=NC=C1

Technology Process of 4-Ethylpyrimidine

There total 10 articles about 4-Ethylpyrimidine 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: 73.0%

4-chloro-6-ethylpyrimidine (141602-25-7) → 4-ethylpyrimidine (30537-73-6)

Guidance literature:

With hydrogen; sodium acetate; palladium on activated charcoal; In methanol; ethanol; at 50 ℃; for 3h; under 2585.7 Torr;

Reference yield: 24.0%

dibenzyl 2-methyl-2-(pyrimidin-4-yl)malonate → 4-ethylpyrimidine (30537-73-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 50 ℃; for 6h; under 2585.81 Torr;

DOI:10.1021/acs.oprd.0c00397

Reference yield:

6-ethyl-4(3H)-pyrimidinone (124703-78-2) → 4-ethylpyrimidine (30537-73-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / phosphorus oxychloride / CH₂Cl₂ / 3 h / Heating

2: 73 percent / H₂, sodium acetate, / 5percent Pd/C / ethanol; methanol / 3 h / 50 °C / 2585.7 Torr

With hydrogen; sodium acetate; trichlorophosphate; palladium on activated charcoal; In methanol; ethanol; dichloromethane;

upstream raw materials:

4-vinyl pyrimidine

(E)-1-chloropent-1-en-3-one

formamide

4-chloro-6-ethylpyrimidine

Downstream raw materials:

(2S,3R)-2-(2,4-Difluoro-phenyl)-3-pyrimidin-4-yl-1-[1,2,4]triazol-1-yl-butan-2-ol

(2S,3S)-2-(2,4-Difluoro-phenyl)-3-pyrimidin-4-yl-1-[1,2,4]triazol-1-yl-butan-2-ol

2-(2,4-difluorophenyl)-3-(pyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

4-isopropylpyrimidine