ethyl 4-(methylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate

Basic Information

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CAS Number

76360-82-2

Molecular Formula

C9H13N3O2S

Molecular Weight

227.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

91-93 ºC

Boiling Point

368.9℃ at 760 mmHg

Density

1.24±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

176.9 °C

SMILES

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CCOC(=O)C1=CN=C(N=C1NC)SC

InChI

InChI=1S/C9H13N3O2S/c1-4-14-8(13)6-5-11-9(15-3)12-7(6)10-2/h5H,4H2,1-3H3,(H,10,11,12)

InChIKey

VDDZMXQAZJMGPK-UHFFFAOYSA-N

LogP

1.4169

Topological Polar Surface Area

64.11 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

216

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-methylamino-2-methylsulfanyl-5-pyrimidinecarboxylate ethyl ester
NSC-165300
ethyl 4-methylamino-2-methyl-thiopyrimidine-5-carboxylate
ethyl 4-(methylamino)-2-(methylthio)pyrimidine-5-carboxylate
76360-82-2
SCHEMBL1521842
Ethyl 4-(methylamino)-2-(methylthio)-pyrimidine-5-carboxylate
Boc-(R)-3-Amino-3-(3-fluoro-phenyl)-propionicacid
4-methylamino-2-methylthio-5-pyrimidine carboxylic acid ethyl ester
CS-W000293
ETHYL 4-(METHYLAMINO)-2-(METHYLSULFANYL)-5-PYRIMIDINECARBOXYLATE
4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester
7N-512S
4-Methylamino-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester
DTXSID50304287
ethyl 4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxylate
VDDZMXQAZJMGPK-UHFFFAOYSA-N
4-methylamino2-methylthio-5-pyrimidine carboxylic acid ethyl ester
PD129743
4-(Methylamino)-2-(methylthio)pyrimidine-5-carboxylic Acid Ethyl Ester
NSC165300
AC-29427
Ethyl4-(methylamino)-2-(methylsulfanyl)-5-pyrimidinecarboxylate
SY026677
ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
MFCD00476788
FT-0671470
AMY37427
4-methylamino-2-methylsulfanylpyrimidine-5-carboxylic acid ethyl ester
Z1037335696
AKOS000554707

MDL Number

MFCD00476788

Customs Code

2933599090

FAQ

What are the physical and chemical properties of ethyl 4-(methylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 76360-82-2)?

Ethyl 4-(methylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 76360-82-2) is a white crystalline solid with a molecular weight of 316.41 g/mol. It is slightly soluble in water and has good solubility in organic solvents like ethanol and methanol. This compound has moderate reactivity, showing basic behavior due to the amino group and can undergo nucleophilic substitution reactions. It is stable under normal conditions but should be stored away from strong acids and bases.

How is ethyl 4-(methylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 76360-82-2) typically synthesized?

Ethyl 4-(methylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 76360-82-2) is typically synthesized through a multi-step process involving the reaction of 4-(methylamino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid with ethyl chloroformate in the presence of a base like triethylamine. The reaction provides good yield and selectivity, with minimal side products.

What industries use ethyl 4-(methylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 76360-82-2)?

Ethyl 4-(methylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 76360-82-2) is primarily used in the pharmaceutical industry for the synthesis of drugs, particularly those targeting cardiovascular and neurological conditions. It is also used in the polymer industry for the development of specialty polymers with unique properties.

What precautions should be taken when handling ethyl 4-(methylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 76360-82-2)?

When handling ethyl 4-(methylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 76360-82-2), protective gloves and goggles should be worn to prevent skin and eye contact. It should be stored in a cool, dry place away from strong acids and bases. In case of a spill, the area should be cleaned up with appropriate absorbent materials, and the spill should be disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed instructions.