Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2-Methylthio-4-pyrimidinol

Related Products

Hot Products

Name

2-Methylthio-4-pyrimidinol

EINECS 227-274-6
CAS No. 5751-20-2 Density 1.35 g/cm3
PSA 71.05000 LogP 0.49180
Solubility N/A Melting Point 200.0 to 204.0 °C
Formula C5H6N2OS Boiling Point 301.2 °C at 760 mmHg
Molecular Weight 142.181 Flash Point 136 °C
Transport Information N/A Appearance N/A
Safety 26-39 Risk Codes 22-37/38-41
Molecular Structure Molecular Structure of 5751-20-2 (2-Methylthio-4-pyrimidinol) Hazard Symbols Xn
Synonyms

4(1H)-Pyrimidinone,2-(methylthio)- (8CI,9CI);4-Pyrimidinol, 2-(methylthio)- (6CI,7CI);2-(Methylthio)-4(1H)-pyrimidinone;2-(Methylthio)-4(3H)-pyrimidinone;2-(Methylthio)-4-pyrimidinone;2-(Methylthio)-4-pyrimidone;2-(Methylthio)pyrimidine-4(3H)-one;2-Methylsulfanyl-3H-pyrimidin-4-one;2-Methylsulfanylpyrimidin-4-ol;2-Methylthio-3H-pyrimidin-4-one;2-Methylthio-4-hydroxypyrimidine;2-Methylthiouracil;4-Hydroxy-2-(methylthio)pyrimidine;NSC 125339;

Article Data 31

2-Methylthio-4-pyrimidinol Synthetic route

141-90-2

2-thiouracil

74-88-4

methyl iodide

5751-20-2

2-Methylthiouracil

Conditions
ConditionsYield
Stage #1: 2-thiouracil; methyl iodide With sodium hydroxide In water at 20℃; for 16h;
Stage #2: With acetic acid In water
100%
Stage #1: 2-thiouracil With sodium hydroxide In water at 60 - 70℃;
Stage #2: methyl iodide In ethanol; water at 30 - 60℃; for 0.333333h;
Stage #3: With acetic acid In ethanol; water at 20℃;
100%
With sodium hydroxide at 20℃; for 18h;99%

n-propyl formylacetate

2986-19-8

carbamimidothioic acid methyl ester

5751-20-2

2-Methylthiouracil

Conditions
ConditionsYield
In isopropyl alcohol at 35℃;97%
63857-17-0

methyl 3-oxopropionate

2986-19-8

carbamimidothioic acid methyl ester

5751-20-2

2-Methylthiouracil

Conditions
ConditionsYield
In ethanol at 10℃;96%
34780-29-5

3-oxo-propionic acid ethyl ester

2986-19-8

carbamimidothioic acid methyl ester

5751-20-2

2-Methylthiouracil

Conditions
ConditionsYield
In methanol at 5℃; for 3h;94.9%
108350-20-5

isopropyl formylacetate

2986-19-8

carbamimidothioic acid methyl ester

5751-20-2

2-Methylthiouracil

Conditions
ConditionsYield
In methanol at 25℃;93%

n-butyl formylacetate

2986-19-8

carbamimidothioic acid methyl ester

5751-20-2

2-Methylthiouracil

Conditions
ConditionsYield
In ethanol at 25℃;93%

isobutyl formylacetate

2986-19-8

carbamimidothioic acid methyl ester

5751-20-2

2-Methylthiouracil

Conditions
ConditionsYield
In ethanol at 25℃;93%
108350-21-6

3-oxo-propionic acid tert-butyl ester

2986-19-8

carbamimidothioic acid methyl ester

5751-20-2

2-Methylthiouracil

Conditions
ConditionsYield
In ethanol at 25℃;93%
141-90-2

2-thiouracil

616-38-6

carbonic acid dimethyl ester

5751-20-2

2-Methylthiouracil

Conditions
ConditionsYield
With tetrabutylammomium bromide; potassium carbonate at 120℃; for 8h;93%
With tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide at 120℃; for 6h;92.6%
353-43-5

boron dimethyl-trifluoro sulphide

2-chloropyrimidin-4(3H)-one

5751-20-2

2-Methylthiouracil

Conditions
ConditionsYield
In neat (no solvent) at 60℃; for 16h; Sealed tube;83%

2-Methylthio-4-pyrimidinol Specification

The 2-Methylthio-4-pyrimidinol, with the CAS registry number 5751-20-2 and EINECS registry number 227-274-6, has the systematic name of 2-(methylsulfanyl)pyrimidin-4(3H)-one. It belongs to the product categoies of Pyrimidine and Intermediate of mizolastine. And the molecular formula of this chemical is C5H6N2OS.

The physical properties of 2-Methylthio-4-pyrimidinol are as followings: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.91; (8)ACD/KOC (pH 7.4): 23.75; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.97 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 37.62 cm3; (15)Molar Volume: 104.5 cm3; (16)Polarizability: 14.91×10-24cm3; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 136 °C; (20)Enthalpy of Vaporization: 56.3 kJ/mol; (21)Boiling Point: 301.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000597 mmHg at 25°C.

Preparation: This chemical can be prepared by 2-thioxo-2,3-dihydro-1H-pyrimidin-4-one and iodomethane. The reaction will need reagent aq. NaOH, and the yield is about 88%. 

Uses of 2-Methylthio-4-pyrimidinol: It can react with 4-chloro-aniline to produce 2-(4-chloro-anilino)-3H-pyrimidin-4-one. This reaction will need solvent bis-(2-methoxy-ethyl) ether and heating. The yield is about 79%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/C=C\N=C(\SC)N1
(2)InChI: InChI=1/C5H6N2OS/c1-9-5-6-3-2-4(8)7-5/h2-3H,1H3,(H,6,7,8)
(3)InChIKey: UYHSQVMHSFXUOA-UHFFFAOYAO

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 5751-20-2