2-(Tert-butyl)pyrimidin-4(3H)-one

Base Information

• Chemical Name: 2-(Tert-butyl)pyrimidin-4(3H)-one
• CAS No.: 42351-88-2
• Molecular Formula: C₈H₁₂N₂O
• Molecular Weight: 152.196
• Hs Code.: 2933599090
• European Community (EC) Number: 832-276-0
• Mol file: 42351-88-2.mol

Synonyms:42351-88-2;2-(tert-Butyl)pyrimidin-4-ol;2-(TERT-BUTYL)PYRIMIDIN-4(3H)-ONE;2-tert-butyl-3,4-dihydropyrimidin-4-one;2-tert-butyl-1H-pyrimidin-6-one;SCHEMBL393333;SCHEMBL24197698;1,1-dimethylethyl-4-pyrimidinol;PHJLZBIRORCZFZ-UHFFFAOYSA-N;2-(t-Butyl)pyrimidin-4(3H)-one;MFCD11847680;AKOS009844251;AKOS022177033;SB56223;AS-42754;CS-0217512;FT-0721526;EN300-75853;Z1262246110

Chemical Property of 2-(Tert-butyl)pyrimidin-4(3H)-one

Chemical Property:

• Vapor Pressure: 0.0306mmHg at 25°C
• Boiling Point: 236.6oC at 760 mmHg
• Flash Point: 96.9oC
• PSA: 46.01000
• Density: 1.071g/cm3
• LogP: 1.47970
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.094963011
• Heavy Atom Count: 11
• Complexity: 233

Purity/Quality:

98%min ^*data from raw suppliers

2-tert-butyl-3,4-dihydropyrimidin-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(Tert-butyl)pyrimidin-4(3H)-one

There total 6 articles about 2-(Tert-butyl)pyrimidin-4(3H)-one 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: 86.0%

pivalamidine hydrochloride (18202-73-8) + sodium (E)-3-ethoxy-3-oxoprop-1-en-1-olate → 2-t-butyl-3,4-dihydro-4-oxopyrimidine (42351-88-2)

Guidance literature:

With sodium hydroxide; Ambient temperature; overnight;

Reference yield: 54.0%

pivalimidamide (59950-56-0) + sodium (E)-3-ethoxy-3-oxoprop-1-en-1-olate → 2-t-butyl-3,4-dihydro-4-oxopyrimidine (42351-88-2)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃;

Reference yield: 14.0%

5-Bromo-2-(1,1-dimethylethyl)pyrimidine (85929-94-8) → 2-t-butyl-3,4-dihydro-4-oxopyrimidine (42351-88-2)

Guidance literature:

With sodium hydroxide; In methanol; at 160 ℃; for 12h;

upstream raw materials:

5-Bromo-2-(1,1-dimethylethyl)pyrimidine

pivalamidine hydrochloride

5-chloro-2-(1,1-dimethylethyl)pyrimidine

2-tert-butylpyrimidine

Downstream raw materials:

2-t-butyl-4-methoxypyrimidine

2-t-butyl-3-methylpyrimidin-4(3H)-one

4-amino-5-nitro-2-t-butylpyrimidine

5-benzylideneamino-4-benzylidenehydrazino-2-t-butylpyrimidine