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| CAS No.: | 289-95-2 |
|---|---|
| Name: | Pyrimidine |
| Article Data: | 105 |
| Molecular Structure: | |
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|
|
| Formula: | C4H4N2 |
| Molecular Weight: | 80.0892 |
| Synonyms: | m-Diazine;Pyrimidine (in DNA);1,3-Diazine;Miazine;Metadiazine;1,3-Diazabenzene;10008-95-4;1, 3-Diazabenzene;MiaskiteMiazine;Pyrimide; |
| EINECS: | 206-026-0 |
| Density: | 1.055 g/cm3 |
| Melting Point: | 19-22 °C(lit.) |
| Boiling Point: | 122.4 °C at 760 mmHg |
| Flash Point: | 31.1 °C |
| Solubility: | soluble in water |
| Appearance: | white solid or colourless liquid |
| Hazard Symbols: | R10:; |
| Risk Codes: | 10 |
| Safety: | 23-24/25-16 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 25.78000 |
| LogP: | 0.47660 |
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- 50288-62-5threo-Phenyl-2-piperidyl acetamide
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; acetic acid at 25℃; for 0.0833333h; | 85% |
| With ozone In acetic acid at 25℃; for 0.5h; | 64% |
| With ozone In acetic acid at 25℃; for 0.5h; | 64% |
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol; ethyl acetate | A n/a B 70% |
| Conditions | Yield |
|---|---|
| With isopentyl nitrite In tetrahydrofuran at 120℃; under 5250.53 Torr; for 0.333333h; | 55% |
| Conditions | Yield |
|---|---|
| With triethylamine In methanol; water at 4℃; for 24h; Irradiation; sensitizer: methylene blue; | 52% |
| With methyl phenylphosphinate; tetrabutylammomium bromide; tetra-(n-butyl)ammonium iodide; ethylene dibromide; triethylamine In N,N-dimethyl-formamide; acetonitrile at 20℃; Electrochemical reaction; |
- 81454-19-5
2,4-Diphenyl-1-pyrimidin-2-yl-5,6-dihydro-benzo[h]quinolinium; fluoride
A
- 289-95-2
PYRIMIDINE
B
- 34987-58-1
2,4-diphenylbenzo[h]quinoline
| Conditions | Yield |
|---|---|
| With 2,4,6-triphenylpyridine at 250℃; for 6h; | A 51% B n/a |
- 17043-94-6
pyrimidine N-oxide
- 54439-99-5
tert-butyl-isopropyl-thioketene
A
- 289-95-2
PYRIMIDINE
B
- 63702-81-8
3-tert-butyl-3-isopropylthiirane-2-one
| Conditions | Yield |
|---|---|
| In chloroform-d1 for 168h; Ambient temperature; study of sulfur transfer reaction; | A 50% B 44% |
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane | A 49% B n/a |
- 90210-54-1
2-Benzyl-pyrimidine 1-oxide
A
- 289-95-2
PYRIMIDINE
B
- 5053-43-0
2-methylpyrimidine
C
- 90210-57-4
benzyl-pyrimidine
D
- 245-46-5
pyrimido[1,2-a]indole
| Conditions | Yield |
|---|---|
| at 800℃; under 0.0001 - 0.0006 Torr; | A 2% B n/a C 17% D 48% |
- 90210-55-2
4-Benzyl-pyrimidine 3-oxide
A
- 289-95-2
PYRIMIDINE
B
- 3438-46-8
4-Methylpyrimidine
C
- 64660-82-8
4-benzylpyrimidine
D
- 23989-28-8
pyrimido-[1,6-a]indole
| Conditions | Yield |
|---|---|
| at 800℃; under 0.0001 - 0.0006 Torr; | A 14% B n/a C 13% D 45% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; palladium on activated charcoal; diethyl ether Hydrogenation; | |
| With palladium on activated charcoal; ethanol; magnesium oxide Hydrogenation; |
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Chemistry
Molecular structure of Pyrimidine (CAS NO.289-95-2) is:
Product Name: Pyrimidine
CAS Registry Number: 289-95-2
IUPAC Name: pyrimidine
Molecular Weight: 80.08796 [g/mol]
Molecular Formula: C4H4N2
XLogP3: -0.4
H-Bond Donor: 0
H-Bond Acceptor: 2
EINECS: 206-026-0
Melting Point: 19-22 °C(lit.)
Surface Tension: 44.1 dyne/cm
Density: 1.055 g/cm3
Flash Point: 31.1 °C
Enthalpy of Vaporization: 43.09 kJ/mol
Boiling Point: 122.4 °C at 760 mmHg
Vapour Pressure: 16.8 mmHg at 25°C
Refractive index: n20/D 1.504(lit.)
Storage temp.: Flammables area
Water Solubility: soluble
Sensitive: Hygroscopic
Stability: Stable, but air-sensitive and hygroscopic. Incompatible with acids, acid chlorides, acid anhydrides, strong oxidizing agents, carbon dioxide. Flammable.
Product Categories: Pyrimidine;APIs & Intermediate;Boronic ester;Organoborons;Organohalides;Halogenated;Building Blocks;Nucleic acids;Halides;Pyrazines, Pyrimidines & Pyridazines;Building Blocks;Heterocyclic Building Blocks;Pyrimidines
Uses
Pyrimidine (CAS NO.289-95-2) is used for pharmaceutical intermediates, raw materials of photosensitive agent, etc
Production
Pyrimidine (CAS NO.289-95-2) can also be prepared within the laboratory by organic synthesis. One method is the classic Biginelli reaction. Many other methods rely on condensation of carbonyls with amines for instance the synthesis of 2-Thio-6-methyluracil from thiourea and ethyl acetoacetate or the synthesis of 4-methylpyrimidine with 4,4-dimethoxy-2-butanone and formamide.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 3310mg/kg (3310mg/kg) | Progress in Biochemical Pharmacology. Vol. 1, Pg. 542, 1965. |
Safety Profile
Risk Statements: 10
R10:Flammable.
Safety Statements: 23-24/25-16
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
S16:Keep away from sources of ignition.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
RTECS: UV6263000
HazardClass: 3
PackingGroup: III
Specification
Pyrimidine , its cas register number is 289-95-2. It also can be called 1,3-Diazabenzene ; 1,3-Diazine ; Metadiazine ; Miazine ; m-Diazine .It is a colourless to pale yellow liquid. It is a heterocyclic aromatic organic compound similar to benzene and pyridine, containing two nitrogen atoms at positions 1 and 3 of the six-member ring. It is isomeric with two other forms of diazine.