Product Name

  • Name

    5-METHYLPYRIMIDINE

  • EINECS 218-006-9
  • CAS No. 2036-41-1
  • Article Data21
  • CAS DataBase
  • Density 1.021 g/cm3
  • Solubility
  • Melting Point 29-31°C
  • Formula C5H6N2
  • Boiling Point 153 °C at 760 mmHg
  • Molecular Weight 94.116
  • Flash Point 43.256 °C
  • Transport Information UN 1325
  • Appearance crystalline solid
  • Safety 26-36
  • Risk Codes 10-36/37/38-22-11
  • Molecular Structure Molecular Structure of 2036-41-1 (5-METHYLPYRIMIDINE)
  • Hazard Symbols FlammableF, IrritantXi, HarmfulXn
  • Synonyms 5-Methyl-1,3-diazine;
  • PSA 25.78000
  • LogP 0.78500

Synthetic route

5-bromopyrimidine
4595-59-9

5-bromopyrimidine

bis(μ-[2-(dimethylamino)ethanolato-N,O:O]tetramethyldiindium

bis(μ-[2-(dimethylamino)ethanolato-N,O:O]tetramethyldiindium

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
bis-triphenylphosphine-palladium(II) chloride In benzene at 80℃; for 24h;95%
3-amino-3-methylpropenal

3-amino-3-methylpropenal

formamide
77287-34-4, 77287-35-5, 60100-09-6

formamide

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
With piperdinium acetate at 125℃;88%
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
321724-19-0

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

methyl iodide
74-88-4

methyl iodide

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
With C21H30ClNPPd; potassium tert-butylate In tert-Amyl alcohol at 65℃; for 18h; Sealed tube; Inert atmosphere; Glovebox;82%
5-methylpyrimidine 1-ethoxycarbonylimide
76473-27-3

5-methylpyrimidine 1-ethoxycarbonylimide

A

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

B

1-ethoxycarbonyl-4-methylpyrazole
60148-15-4

1-ethoxycarbonyl-4-methylpyrazole

Conditions
ConditionsYield
In benzene for 3h; Irradiation;A 13%
B 42%
2,6-dichloro-5-methylpyrimidine
1780-31-0

2,6-dichloro-5-methylpyrimidine

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
With sodium hydroxide; palladium on activated charcoal; diethyl ether Hydrogenation;
5-methyl-pyrimidine-4-carboxylic acid

5-methyl-pyrimidine-4-carboxylic acid

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

4,6-dichloro-5-methylpyrimidine
4316-97-6

4,6-dichloro-5-methylpyrimidine

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
With methanol; palladium on activated charcoal; magnesium oxide Hydrogenation;
5-methyl-2,4,6-trichloropyrimidine
1780-36-5

5-methyl-2,4,6-trichloropyrimidine

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
With methanol; palladium on activated charcoal; magnesium oxide Hydrogenation;
5-methyl-2,4,6-trichloropyrimidine
1780-36-5

5-methyl-2,4,6-trichloropyrimidine

A

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

B

2-chloro-5-methylpyrimidine
22536-61-4

2-chloro-5-methylpyrimidine

Conditions
ConditionsYield
With water; zinc
4-chloro-5-methyl-pyrimidine
51957-32-5

4-chloro-5-methyl-pyrimidine

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
With palladium-barium carbonate; ammonia Hydrogenation;
C6(2)H6*C5H6N2

C6(2)H6*C5H6N2

A

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

B

benzene-d6
1076-43-3

benzene-d6

Conditions
ConditionsYield
In tetrachloromethane at 34.9℃; Equilibrium constant;
5-methyl-pyrimidine-carboxylic acid-(4)

5-methyl-pyrimidine-carboxylic acid-(4)

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

5-methyl-2,4,6-trichloropyrimidine
1780-36-5

5-methyl-2,4,6-trichloropyrimidine

water
7732-18-5

water

zinc dust

zinc dust

A

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

B

2-chloro-5-methylpyrimidine
22536-61-4

2-chloro-5-methylpyrimidine

...Expand
5-methyl-4(3H)-pyrimidinone
17758-52-0

5-methyl-4(3H)-pyrimidinone

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: POCl3
2: palladium/BaCO3; aq.-ethanolic NH3 / Hydrogenation
View Scheme
5-(tributylstannyl)pyrimidine
144173-85-3

5-(tributylstannyl)pyrimidine

methyl iodide
74-88-4

methyl iodide

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
With tris-(dibenzylideneacetone)dipalladium(0); cesium fluoride; tris-(o-tolyl)phosphine; copper(I) bromide In 1-methyl-pyrrolidin-2-one at 100℃; for 0.0833333h; Inert atmosphere;87 %Chromat.
formamide
77287-34-4, 77287-35-5, 60100-09-6

formamide

3-amino-2-methyl acrolein
30989-81-2

3-amino-2-methyl acrolein

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

Conditions
ConditionsYield
at 100℃; for 5h; Temperature; Alkaline conditions;
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

4-formylphenylboronic acid,
87199-17-5

4-formylphenylboronic acid,

4-(pyrimidin-5-yl)benzaldehyde
198084-12-7

4-(pyrimidin-5-yl)benzaldehyde

Conditions
ConditionsYield
With [Pd(N-(3-chloro-2-quinoxalinyl)-N'-(2,6-diisopropylphenyl)imidazolium)(PPh3)Cl2]; potassium carbonate In water at 70℃; for 3h; Catalytic behavior; Suzuki-Miyaura Coupling;96%
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

4-Chlorophenylboronic acid
1679-18-1

4-Chlorophenylboronic acid

5-(4-chlorophenyl)pyrimidine
82525-17-5

5-(4-chlorophenyl)pyrimidine

Conditions
ConditionsYield
With [Pd(N-(3-chloro-2-quinoxalinyl)-N'-(2,6-diisopropylphenyl)imidazolium)(PPh3)Cl2]; potassium carbonate In water at 70℃; for 3h; Catalytic behavior; Suzuki-Miyaura Coupling;96%
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

potassium tetrachloroaurate(III) dihydrate

potassium tetrachloroaurate(III) dihydrate

Au(chloride)3(5-methylpyrimidine)
1233385-55-1

Au(chloride)3(5-methylpyrimidine)

Conditions
ConditionsYield
In methanol; water dropwise addn. of soln. of N compd. in methanol to aq. soln. of Au compd.; filtration, washing with water, drying under vacuum;95%
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

potassium phenyltrifluoborate

potassium phenyltrifluoborate

5-phenylpyrimidine
34771-45-4

5-phenylpyrimidine

Conditions
ConditionsYield
With [Pd(N-(3-chloro-2-quinoxalinyl)-N'-(2,6-diisopropylphenyl)imidazolium)(PPh3)Cl2]; potassium carbonate In water at 70℃; for 3h; Catalytic behavior; Suzuki-Miyaura Coupling;95%
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

4-fluoroboronic acid
1765-93-1

4-fluoroboronic acid

5-(4-fluorophenyl)pyrimidine
68049-21-8

5-(4-fluorophenyl)pyrimidine

Conditions
ConditionsYield
With [Pd(N-(3-chloro-2-quinoxalinyl)-N'-(2,6-diisopropylphenyl)imidazolium)(PPh3)Cl2]; potassium carbonate In water at 70℃; for 3h; Catalytic behavior; Suzuki-Miyaura Coupling;95%
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

4-methylphenylboronic acid
5720-05-8

4-methylphenylboronic acid

5-(4-methyl phenyl)pyrimidine
74963-04-5

5-(4-methyl phenyl)pyrimidine

Conditions
ConditionsYield
With [Pd(N-(3-chloro-2-quinoxalinyl)-N'-(2,6-diisopropylphenyl)imidazolium)(PPh3)Cl2]; potassium carbonate In water at 70℃; for 3h; Catalytic behavior; Suzuki-Miyaura Coupling;93%
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

phenylboronic acid
98-80-6

phenylboronic acid

5-phenylpyrimidine
34771-45-4

5-phenylpyrimidine

Conditions
ConditionsYield
With [Pd(N-(3-chloro-2-quinoxalinyl)-N'-(2,6-diisopropylphenyl)imidazolium)(PPh3)Cl2]; potassium carbonate In water at 70℃; for 3h; Catalytic behavior; Suzuki-Miyaura Coupling;92%
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

cisplatin
15663-27-1

cisplatin

silver perchlorate

silver perchlorate

cis-diamminobis(5-methylpyrimidine)platinum(II) perchlorate

cis-diamminobis(5-methylpyrimidine)platinum(II) perchlorate

Conditions
ConditionsYield
With water In water byproducts: AgCl; stirring of Pt-complex with AgClO4 (50°C, 5 h, protection from light), centrifugation, off of AgCl, filtration (charcoal), evapn., addn. of 5-methylpyrimidine, heating (60°C); evapn.; elem. anal.;85%
...Expand
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

(p-methoxyphenyl)tri-n-butylstannane
70744-47-7

(p-methoxyphenyl)tri-n-butylstannane

5-(4-methoxyphenyl)pyrimidine
69491-47-0

5-(4-methoxyphenyl)pyrimidine

Conditions
ConditionsYield
With C70H40Cl4F66N2O6Pd2; tetrabutylammomium bromide In water at 100℃; for 0.166667h; Stille reaction; Microwave irradiation;81%
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

5-(bromomethyl)pyrimidine
25198-96-3

5-(bromomethyl)pyrimidine

Conditions
ConditionsYield
With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane Reagent/catalyst; Reflux;70%
With N-Bromosuccinimide In dichloromethane at 45℃; for 48h;35%
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane for 23h; Heating / reflux;
With bromination at 50℃; for 2h; Temperature;
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

di-μ-iodo-bis{bis(3-methylpyridine)copper(I)}

di-μ-iodo-bis{bis(3-methylpyridine)copper(I)}

triphenylphosphine
603-35-0

triphenylphosphine

Cu2I2(5-methylpyrimidine)2

Cu2I2(5-methylpyrimidine)2

Conditions
ConditionsYield
In acetone for 48h;64%
...Expand
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

n-perfluorohexyl iodide
355-43-1

n-perfluorohexyl iodide

4-perfluorohexyl-5-methyl-3,4-dihydropyrimidine
122981-94-6

4-perfluorohexyl-5-methyl-3,4-dihydropyrimidine

Conditions
ConditionsYield
With methyllithium lithium bromide; boron trifluoride diethyl etherate In diethyl ether at -78℃;57%
With boron trifluoride diethyl etherate; methyllithium; lithium bromide In diethyl ether at -78℃; for 1h;57%
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

5-methyl-pyrimidine 1-oxide
17758-50-8

5-methyl-pyrimidine 1-oxide

Conditions
ConditionsYield
With 3-chloro-benzenecarboperoxoic acid In chloroform for 24h; Ambient temperature;44%
With dihydrogen peroxide; acetic acid
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

ethyl acetate n-hexane

ethyl acetate n-hexane

5-pyrimidinylmethyl chloride
101346-02-5

5-pyrimidinylmethyl chloride

Conditions
ConditionsYield
With N-chloro-succinimide; dibenzoyl peroxide In tetrachloromethane38%
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

methyl iodide
74-88-4

methyl iodide

1,3-dimethylpyrimidin-1-ium iodide

1,3-dimethylpyrimidin-1-ium iodide

Conditions
ConditionsYield
at 80℃; for 0.333333h; Microwave irradiation;30%
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

ethyl azidocarbonate
817-87-8

ethyl azidocarbonate

5-methylpyrimidine 1-ethoxycarbonylimide
76473-27-3

5-methylpyrimidine 1-ethoxycarbonylimide

Conditions
ConditionsYield
at 90℃; for 60h;18%
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

5-methyl-1,4,5,6-tetrahydro-pyrimidine

5-methyl-1,4,5,6-tetrahydro-pyrimidine

Conditions
ConditionsYield
With hydrogenchloride; palladium on activated charcoal Hydrogenation;
5-methylpyrimidine
2036-41-1

5-methylpyrimidine

pyrimidine-5-carboxylic acid
4595-61-3

pyrimidine-5-carboxylic acid

Conditions
ConditionsYield
With potassium permanganate
tetrahydrofuran
109-99-9

tetrahydrofuran

5-methylpyrimidine
2036-41-1

5-methylpyrimidine

methyl iodide
74-88-4

methyl iodide

A

3-(Tetrahydrofuran-2-yl)-2-methylpropenal
139962-90-6

3-(Tetrahydrofuran-2-yl)-2-methylpropenal

B

3-(Tetrahydrofuran-2-yl)-2-methylpropenal
139962-89-3

3-(Tetrahydrofuran-2-yl)-2-methylpropenal

Conditions
ConditionsYield
Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;
...Expand

5-Methylpyrimidine Specification

The 5-Methylpyrimidine, with the CAS registry number 2036-41-1, is also known as . It belongs to the product categories of Pyrimidine; APIs & Intermediate; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; Building Blocks; Heterocyclic Building Blocks; Pyrimidines. Its EINECS registry number is 218-006-9. This chemical's molecular formula is C5H6N2 and molecular weight is 94.11. Its IUPAC name is called 5-methylpyrimidine. This chemical is crystalline solid. You should keep container tightly sealed and store in a cool, dry place. Besides, you should ensure that workplaces have good ventilation or exhaust.

Physical properties of 5-Methylpyrimidine: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.115; (8)ACD/KOC (pH 7.4): 24.123; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.503; (13)Molar Refractivity: 27.26 cm3; (14)Molar Volume: 92.156 cm3; (15)Surface Tension: 41.014 dyne/cm; (16)Density: 1.021 g/cm3; (17)Flash Point: 43.256 °C; (18)Enthalpy of Vaporization: 37.375 kJ/mol; (19)Boiling Point: 152.999 °C at 760 mmHg; (20)Vapour Pressure: 4.359 mmHg at 25°C.

Uses of 5-Methylpyrimidine: it can be used to produce 5-methyl-pyrimidine 1-oξde. It will need reagent aqueous H2O2, acetic acid.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may catch fire in contact with air which only need brief contact with an ignition source and has a very low flash point or evolve highly flammable gases in contact with water. Besides, it may cause damage to health and may cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CN=CN=C1
(2)InChI: InChI=1S/C5H6N2/c1-5-2-6-4-7-3-5/h2-4H,1H3
(3)InChIKey: TWGNOYAGHYUFFR-UHFFFAOYSA-N

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