Pyrimidine, 1,4,5,6-tetrahydro-2-methyl-

Base Information

• Chemical Name: Pyrimidine, 1,4,5,6-tetrahydro-2-methyl-
• CAS No.: 4271-95-8
• Molecular Formula: C5H10N2
• Molecular Weight: 98.1478
• DSSTox Substance ID: DTXSID30378143
• Nikkaji Number: J2.618.234D
• Wikidata: Q82167654
• Mol file: 4271-95-8.mol

Synonyms:2-methyl-1,4,5,6-tetrahydropyrimidine;4271-95-8;Pyrimidine, 1,4,5,6-tetrahydro-2-methyl-;2-Methyl-1,4,5,6-tetrahydro-pyrimidine;DTXSID30378143;AKOS006273735

Chemical Property of Pyrimidine, 1,4,5,6-tetrahydro-2-methyl-

Chemical Property:

• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 98.084398327
• Heavy Atom Count: 7
• Complexity: 86.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NCCCN1

Technology Process of Pyrimidine, 1,4,5,6-tetrahydro-2-methyl-

There total 3 articles about Pyrimidine, 1,4,5,6-tetrahydro-2-methyl- 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:

Trimethylenediamine (109-76-2,54018-94-9) → hexahydropyrimidine (505-21-5) + 1,4,5,6-tetrahydropyrimidine (1606-49-1) + 2-methyl-1,4,5,6-tetrahydropyrimidine (4271-95-8) + 2-methyltetrahydropyrimidine (16077-36-4) + 2-ethyl-hexahydro-pyrimidine (22385-49-5) + 2-ethyl-1,4,5,6-tetrahydropyrimidine (54514-33-9)

Guidance literature:

tungsten(VI) oxide; at 500 ℃; Product distribution; other temperatures; other catalyst composition; pulse conditions;

DOI:10.1007/BF00568955

Reference yield:

2-methylpyrimidine (5053-43-0) → 2-methyl-1,4,5,6-tetrahydropyrimidine (4271-95-8)

Guidance literature:

With hydrogenchloride; palladium on activated charcoal; Hydrogenation;

DOI:10.1021/jo01125a004

Reference yield:

ethyl acetate (141-78-6) + Trimethylenediamine (109-76-2,54018-94-9) → 2-methyl-1,4,5,6-tetrahydropyrimidine (4271-95-8) + N-(3-aminopropyl)acetamide (4078-13-1)

Guidance literature:

at 150 ℃;

DOI:10.1021/ja01865a068

upstream raw materials:

2-methylpyrimidine

ethyl acetate

Trimethylenediamine

Downstream raw materials:

lysidine

2-methylpyrimidine

1-tosyl-2-methyltetrahydropyrimidine

(2-methylenedihydropyrimidine-1,3(2H,4H)-diyl)bis[(3-bromophenyl)methanone]

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