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

Name
1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine
EINECS 224-262-2
CAS No. 4271-96-9
Article Data10
CAS DataBase
Density 0.98 g/cm³
Solubility
Melting Point
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;
PSA 15.60000
LogP 0.11380

Synthetic route

: 61327-70-6
1,2-dimethyl-hexahydro-pyrimidine

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

Conditions

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

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

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

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

Conditions	Yield
In neat (no solvent) at 80℃; for 1h;	5.33 g

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 1,2-dimethyl-1,4,5,6-tetrahydropyrimidine hydroiodide

Conditions

Conditions	Yield
With hydrogen iodide In 1,4-dioxane; water at 0 - 20℃; for 12h;	100%

: 1520-20-3
1-isothiocyanato-4-vinylbenzene

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: C15H19N3S

Conditions

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

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

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

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; Inert atmosphere; Reflux;	84%

: 100-07-2
4-methoxy-benzoyl chloride

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 1228685-29-7
2-[1-(4-methoxybenzoyl)-3-methyltetrahydropyrimidin-2(1H)-ylidene]-1,3-bis(4-methoxyphenyl)propane-1,3-dione

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; Inert atmosphere; Reflux;	83%

: 98-88-4
benzoyl chloride

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 2-(1-benzoyl-3-methyltetrahydropyrimidin-2(1H)-ylidene)-1,3-diphenylpropane-1,3-dione

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; Inert atmosphere; Reflux;	82%
With triethylamine In tetrahydrofuran Inert atmosphere;

: 874-60-2
4-methyl-benzoyl chloride

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 1228685-30-0
2-[1-methyl-3-(4-methylbenzoyl)tetrahydropyrimidin-2(1H)-ylidene]-1,3-bis(4-methylphenyl)propane-1,3-dione

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; Inert atmosphere; Reflux;	82%

: 122-01-0
4-chloro-benzoyl chloride

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 1228685-28-6
2-[1-(4-chlorobenzoyl)-3-methyltetrahydropyrimidin-2(1H)-ylidene]-1,3-bis(4-chlorophenyl)propane-1,3-dione

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; Inert atmosphere; Reflux;	80%

: 618-46-2
m-Chlorobenzoyl chloride

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 1228685-34-4
2-[1-(3-chlorobenzoyl)-3-methyltetrahydropyrimidin-2(1H)-ylidene]-1,3-bis(3-chlorophenyl)propane-1,3-dione

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; Inert atmosphere; Reflux;	79%

: 1195-45-5
para-fluorophenyl isocyanate

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 1227407-98-8
N,7-bis(4-fluorophenyl)-1-methyl-6,8-dioxo-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,6-a]pyrimidine-9-carboxamide

Conditions

Conditions	Yield
In acetonitrile at 20℃; Inert atmosphere; Reflux;	76%

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 1711-06-4
3-Methylbenzoyl chloride

: 1228685-36-6
2-[1-methyl-3-(3-methylbenzoyl)tetrahydropyrimidin-2(1H)-ylidene]-1,3-bis(3-methylphenyl)propane-1,3-dione

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; Inert atmosphere; Reflux;	74%

: 622-58-2
p-Tolylisocyanate

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 1227407-96-6
1-methyl-6,8-dioxo-N,7-di-p-tolyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,6-a]pyrimidine-9-carboxamide

Conditions

Conditions	Yield
In acetonitrile at 20℃; Inert atmosphere; Reflux;	74%

: 103-71-9
phenyl isocyanate

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 1227407-95-5
1-methyl-6,8-dioxo-N,7-diphenyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,6-a]pyrimidine-9-carboxamide

Conditions

Conditions	Yield
In acetonitrile at 20℃; Inert atmosphere; Reflux;	71%

: 629-05-0
n-octyne

: 201230-82-2
carbon monoxide

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 1418740-37-0
7-hexyl-1,8a-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyriamidin-6(8aH)-one

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene at 80℃; under 60804.1 Torr; for 6h; Pauson-Khand Annulation; Autoclave;	64%

...Expand

: 5416-93-3
4-Methoxyphenyl isocyanate

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 1227407-97-7
N,7-bis(4-methoxyphenyl)-1-methyl-6,8-dioxo-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,6-a]pyrimidine-9-carboxamide

Conditions

Conditions	Yield
In acetonitrile at 20℃; Inert atmosphere; Reflux;	63%

: 1711-05-3
m-anisoyl chloride

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 1228685-33-3
2-[1-(3-methoxybenzoyl)-3-methyltetrahydropyrimidin-2(1H)-ylidene]-1,3-bis(3-methoxyphenyl)propane-1,3-dione

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; Inert atmosphere; Reflux;	61%

: 201230-82-2
carbon monoxide

: 68274-83-9
5-hexyn-1-yl acetate

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 1418740-39-2
7-(4-acetoxy)butyl-1,8a-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyriamidin-6(8aH)-one

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene at 80℃; under 60804.1 Torr; for 6h; Pauson-Khand Annulation; Autoclave;	61%

...Expand

: 4265-16-1
2-formylbenzo[b]furan

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 109-94-4
formic acid ethyl ester

: 1-methyl-2-<(2-benzofuryl)vinyl>-1,4,5,6-tetrahydropyrimidine formate

Conditions

Conditions	Yield
With lithium fluoride at 50℃; for 18h;	52%

...Expand

: 886-66-8
1,4-diphenyl-1,3-butadiyne

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: N-(2-(3,6-diphenylpyridin-2-yl)ethyl)-N-methylacetamide

Conditions

Conditions	Yield
With carbon dioxide; water; caesium carbonate In acetonitrile at 80℃; for 48h; Reagent/catalyst; Schlenk technique;	45%

: 86-81-7
3,4,5-trimethoxy-benzaldehyde

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 109-94-4
formic acid ethyl ester

: 1-methyl-2-<2-(3,4,5-trimethoxyphenyl)vinyl>-1,4,5,6-tetrahydropyrimidine formate

Conditions

Conditions	Yield
With lithium fluoride at 50℃; for 18h;	42%

...Expand

: 5271-67-0
2-Thiophenecarbonyl chloride

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 2-(1-Methyl-tetrahydro-pyrimidin-2-ylidene)-1,3-di-thiophen-2-yl-propane-1,3-dione

Conditions

Conditions	Yield
With triethylamine In acetonitrile Ambient temperature;	40.5%

: 120-57-0
piperonal

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 109-94-4
formic acid ethyl ester

: 1-methyl-2-<2-(3,4-methylenedioxyphenyl)vinyl>-1,4,5,6-tetrahydropyrimidine formate

Conditions

Conditions	Yield
With lithium fluoride at 50℃; for 18h;	40%

...Expand

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 38818-50-7
4-chloro-3-nitro-benzoyl chloride

: 1,3-Bis-(4-chloro-3-nitro-phenyl)-2-(1-methyl-tetrahydro-pyrimidin-2-ylidene)-propane-1,3-dione

Conditions

Conditions	Yield
With triethylamine In acetonitrile Ambient temperature;	40%

: 5834-16-2
3-methyl-2-thiophenecarboxaldehdye

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 83467-08-7
1-methyl-2-<(3-methyl)thio-2-thenoyl methylene>hexahydropyrimidine

Conditions

Conditions	Yield
With sulfur In xylene Heating; 5-8 h;	37.8%

: 527-69-5
2-furancarbonyl chloride

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 1,3-Di-furan-2-yl-2-(1-methyl-tetrahydro-pyrimidin-2-ylidene)-propane-1,3-dione

Conditions

Conditions	Yield
With triethylamine In acetonitrile Ambient temperature;	37%

: 98-03-3
thiophene-2-carbaldehyde

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

: 83467-07-6
1-methyl-2-(thio-2-thenoyl methylene)hexahydropyrimidine

Conditions

Conditions	Yield
With sulfur In xylene Heating; 5-8 h;	36.8%

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):

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: Irritant 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 .

Product Name

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

Synthetic route

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

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

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

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