ChemicalBook--->CAS DataBase List--->4271-96-9

4271-96-9

4271-96-9 Structure

4271-96-9 Structure
IdentificationMore
[Name]

1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine
[CAS]

4271-96-9
[Synonyms]

1,2-DIMETHYL-1,4,5,6-TETRAHYDROPYRIMIDINE
1,4,5,6-TETRAHYDRO-1,2-DIMETHYLPYRIMIDINE
DMTHPM
1,4,5,6-tetrahydro-1,2-dimethyl-pyrimidin
Pyrimidine,1,4,5,6-tetrahydro-1,2-dimethyl-
1,2-Dimethyl-1,4,5,6-Tetrahydropyrimidne
[EINECS(EC#)]

224-262-2
[Molecular Formula]

C6H12N2
[MDL Number]

MFCD00036056
[Molecular Weight]

112.17
[MOL File]

4271-96-9.mol
Chemical PropertiesBack Directory
[Boiling point ]

125°C (115 mmHg)
[density ]

0,98 g/cm3
[Fp ]

73°C
[storage temp. ]

2-8°C
[solubility ]

Acetone (Sparingly), Chloroform (Sparingly), DMSO (Sparingly), Methanol(Sparingly)
[form ]

Oil
[pka]

13.42±0.20(Predicted)
[color ]

Clear Colourless
[Specific Gravity]

0.982 (20/4℃)
[InChI]

1S/C6H12N2/c1-6-7-4-3-5-8(6)2/h3-5H2,1-2H3
[InChIKey]

ZFDWWDZLRKHULH-UHFFFAOYSA-N
[CAS DataBase Reference]

4271-96-9(CAS DataBase Reference)
[EPA Substance Registry System]

Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl- (4271-96-9)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R22:Harmful if swallowed.
R34:Causes burns.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3267
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

2933599590
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,2-Diaminopropane-->3-Aminopropionitrile-->N-[3-(MethylaMino)propyl]-acetaMide HCl-->1,1-Dimethoxy-N,N-dimethylethylamine-->N-Methyl-1,3-propanediamine
Hazard InformationBack Directory
[Uses]

1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine is a reagent used in the synthesis of pyrantel derivatives with nematocidal activity. Also used as a reactant in the preparation of hapten antibodies that evoke terpenoid cyclization.
[Synthesis]

N-[3-(MethylaMino)propyl]-acetaMide HCl

56125-48-5

1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine

4271-96-9

General procedure for the synthesis of 1,2-dimethyl-1,4,5,6-tetrahydropyrimidine from N-[3-(methylamino)propyl]-acetamide: N-[3-(methylamino)propyl]-acetamide obtained from the previous step was dissolved in 200 mL of polyphosphoric acid ester (PPE) and placed in a microwave reactor. The reaction temperature was controlled to be 80 °C and the reaction time was 2 hours. After completion of the reaction, the reaction mixture was purified to afford the target product 1,2-dimethyl-1,4,5,6-tetrahydropyrimidine 240 g in 94.42% yield.

[References]

[1] Patent: CN108822044, 2018, A. Location in patent: Paragraph 0025; 0028; 0031; 0032; 0037; 0042; 0047-0057
Spectrum DetailBack Directory
[Spectrum Detail]

1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine(4271-96-9)1HNMR
1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine(4271-96-9)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4271-96-9(sigmaaldrich)
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