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Cas Database |
| Name |
1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine |
EINECS | 224-262-2 |
| CAS No. | 4271-96-9 | Density | 0.98 g/cm3 |
| PSA | 15.60000 | LogP | 0.11380 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H12N2 | Boiling Point | 191.7 °C at 760 mmHg |
| Molecular Weight | 112.175 | Flash Point | 69.8 °C |
| Transport Information | 3267 | Appearance | Slight yellow to colorless |
| Safety | 23-26-36/37/39 | Risk Codes | 22-34 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine;1,4,5,6-Tetrahydro-1,2-dimethylpyrimidine;2,3-Dimethyl-3,4,5,6-tetrahydropyrimidine; |
Article Data | 10 |
1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine Synthetic route
- 61327-70-6
1,2-dimethyl-hexahydro-pyrimidine
- 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine
| Conditions | Yield |
|---|---|
| With oxygen; gold In acetonitrile at 60℃; under 760.051 Torr; for 40h; | 97% |
- 75-05-8
acetonitrile
- 6291-84-5
N-Methyl-1,3-propanediamine
- 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine
| Conditions | Yield |
|---|---|
| With thioacetamide at 90 - 110℃; for 6h; Temperature; Reagent/catalyst; Large scale; | 96% |
| Stage #1: acetonitrile; N-Methyl-1,3-propanediamine With zinc(II) chloride for 24h; Inert atmosphere; Reflux; Stage #2: Inert atmosphere; | 45% |
- 56125-48-5
N-[3-(methylamino)propyl]acetamide
- 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine
| Conditions | Yield |
|---|---|
| With PPE at 80℃; for 2h; Temperature; Microwave irradiation; | 94.42% |
- 2208-07-3
ethyl acetimidate hydrochloride
- 6291-84-5
N-Methyl-1,3-propanediamine
- 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine
| Conditions | Yield |
|---|---|
| at 125℃; for 15h; Yield given; |
- 18871-66-4
N,N-dimethylacetamide dimethyl acetal
- 6291-84-5
N-Methyl-1,3-propanediamine
- 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine
| Conditions | Yield |
|---|---|
| In neat (no solvent) at 80℃; for 1h; | 5.33 g |
- 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine
| Conditions | Yield |
|---|---|
| With hydrogen iodide In 1,4-dioxane; water at 0 - 20℃; for 12h; | 100% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 0 - 20℃; for 12h; Schlenk technique; Inert atmosphere; | 97% |
- 1711-09-7
3-bromobenzoyl chloride
- 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine
- 1228685-35-5
2-[1-(3-bromobenzoyl)-3-methyltetrahydropyrimidin-2(1H)-ylidene]-1,3-bis(3-bromophenyl)propane-1,3-dione
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran at 20℃; Inert atmosphere; Reflux; | 89% |
- 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine
- 1711-07-5
3-fluorobenzoyl chloride
- 1228685-32-2
2-[1-(3-fluorobenzoyl)-3-methyltetrahydropyrimidin-2(1H)-ylidene]-1,3-bis(3-fluorophenyl)propane-1,3-dione
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran at 20℃; Inert atmosphere; Reflux; | 88% |
- 403-43-0
4-fluorobenzoyl chloride
- 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine
- 1228685-31-1
2-[1-(4-fluorobenzoyl)-3-methyltetrahydropyrimidin-2(1H)-ylidene]-1,3-bis(4-fluorophenyl)propane-1,3-dione
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran at 20℃; Inert atmosphere; Reflux; | 84% |
1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine Chemical Properties
Molecular Structure of 1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine (CAS NO.4271-96-9):
.png)
IUPAC Name: 1,2-dimethyl-5,6-dihydro-4H-pyrimidine
Empirical Formula: C6H12N2
Molecular Weight: 112.1729
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 15.6 Å2
Index of Refraction: 1.513
Molar Refractivity: 34.28 cm3
Molar Volume: 113.9 cm3
Surface Tension: 31.4 dyne/cm
Density: 0.98 g/cm3
Flash Point: 69.8 °C
Enthalpy of Vaporization: 42.79 kJ/mol
Boiling Point: 191.7 °C at 760 mmHg
Vapour Pressure: 0.507 mmHg at 25°C
EINECS: 224-262-2
Product Categories: Boron, Nitrile, Thio,& TM-Cpds; Heterocyclic Compounds
InChI
InChI=1/C6H12N2/c1-6-7-4-3-5-8(6)2/h3-5H2,1-2H3
Smiles
N1=C(N(CCC1)C)C
1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine Safety Profile
Hazard Codes: 
Xi
Risk Statements: 22-34
R22:Harmful if swallowed.
R34:Causes burns.
Safety Statements: 23-26-36/37/39
S23:Do not breathe vapour.
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
1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine Specification
1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine , with CAS number of 4271-96-9, can be called pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl- ; 1,4,5,6-tetrahydro-1,2-dimethylpyrimidine ; 2,3-Dimethyltetrahydropyrimidine .
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