Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

Basic Information

View in Editor

CAS Number

18212-20-9

Molecular Formula

C6H8N2O2S

Molecular Weight

172.21 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

Boiling Point

242 ºC

Flash Point

100 ºC

Refractive Index

n20/D 1.5050(lit.)

SMILES

View in Editor

CCOC(=O)C1=C(N=NS1)C

InChI

InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-4(2)7-8-11-5/h3H2,1-2H3

InChIKey

AHPXTXGCMLOXGA-UHFFFAOYSA-N

LogP

1.02322

Topological Polar Surface Area

52.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

154

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

ethyl-4-methyl-1,2,3-thiadiazole-5-carboxylate
J-521039
4-methyl-5-thiadiazolecarboxylic acid ethyl ester
DTXSID80374539
FT-0626095
10J-523S
Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate, 97%
F14572
18212-20-9
A26562
CS-0045358
ethyl 4-methylthiadiazole-5-carboxylate
A812653
J-011656
MFCD00052549
AKOS005069211
SY078770
SCHEMBL2211256
Ethyl4-methyl-1,2,3-thiadiazole-5-carboxylate
Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
1,2,3-Thiadiazole-5-carboxylic acid, 4-methyl-, ethyl ester
4-Methyl-1,2,3-thiadiazole-5-carboxylic acid ethyl ester
4-methyl-5-carbethoxy-1,2,3-thiadiazole
5-ethoxycarbonyl-4-methyl-1,2,3-thiadiazole
ethyl 4-methyl-1,2,3-thiadiazole-4-carboxylate
ethylmethylthiadiazolecarboxylate
NK-F 003
4-methyl-1,2,3-thiadiazole-5-carboxylic acid ethylester
STK506103
SBB050113
VZ32149

MDL Number

MFCD00052549

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate (CAS: 18212-20-9)?

Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate (CAS: 18212-20-9) is a crystalline solid with a molecular weight of approximately 228.23 g/mol. It has a melting point of 67-69°C and is slightly soluble in water. This compound is relatively stable under normal conditions but can react with strong bases to form the corresponding anion. It is used in various organic synthesis reactions and as a reagent in the pharmaceutical and polymer industries.

How is Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate (CAS: 18212-20-9) typically synthesized?

Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate (CAS: 18212-20-9) is typically synthesized by the reaction of ethyl isothiocyanate with 4-methyl-1,2,3-thiadiazole-5-carbonitrile. The reaction is usually carried out in the presence of a base such as sodium carbonate, and the product is isolated by recrystallization. The yield is generally around 75-85%, and the reaction is highly selective and efficient.

What industries use Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate (CAS: 18212-20-9)?

Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate (CAS: 18212-20-9) is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of various drugs and is also employed in the preparation of polymers with specific functional groups. Additionally, it finds applications in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate (CAS: 18212-20-9)?

When handling Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate (CAS: 18212-20-9), it is important to use appropriate personal protective equipment (PPE), such as gloves and goggles, to prevent skin and eye contact. The material should be handled in a well-ventilated area or a fume hood to minimize inhalation risk. In the event of a spill, it should be cleaned up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed safety information and procedures.