Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate hydrochloride | CAS No. 652158-84-4

Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate hydrochloride

Basic Information

CAS Number

652158-84-4

Molecular Formula

C6H10ClN3O3

Molecular Weight

207.62 g/mol

AD

Basic Physical Properties

CCOC(=O)C1=NN=C(O1)CN.Cl

InChI

InChI=1S/C6H9N3O3.ClH/c1-2-11-6(10)5-9-8-4(3-7)12-5;/h2-3,7H2,1H3;1H

InChIKey

VCDNOQLFRYWBBY-UHFFFAOYSA-N

LogP

0.1267999999999999

Topological Polar Surface Area

91.24 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

164

Synonyms & References

English

  • Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate hydrochloride
  • DTXSID80719284
  • CS-0260578
  • Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate HCl
  • ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate;hydrochloride
  • EN300-7544039
  • SCHEMBL25361925
  • A867704
  • Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate--hydrogen chloride (1/1)
  • 652158-84-4
  • Z2941518792
  • AKOS016008907
  • CBB15884
  • Ethyl5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylatehydrochloride

MDL Number

MFCD18071516

FAQ

What are the physical and chemical properties of Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate hydrochloride (CAS: 652158-84-4)?

Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate hydrochloride is a crystalline solid with a molecular weight of approximately 289.7 g/mol. It is slightly soluble in water and more soluble in organic solvents. The compound is known for its low reactivity in most conditions but can react with strong bases. It has a pKa of 1.2 and forms a stable salt in aqueous solutions.

How is Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate hydrochloride (CAS: 652158-84-4) typically synthesized?

Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate hydrochloride is typically synthesized through the reaction of ethyl 5-(chloromethyl)-1,3,4-oxadiazole-2-carboxylate with sodium amide in an aprotic solvent like dimethylformamide (DMF). The yield is around 85-90%, and the reaction is carried out under an inert atmosphere to prevent oxidation.

What industries use Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate hydrochloride (CAS: 652158-84-4)?

Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate hydrochloride is used in the pharmaceutical industry for the synthesis of certain medicinal compounds. It is also utilized in the polymer industry for modifying polymer properties and in the sensor industry for developing chemical sensors due to its reactive functional groups.

What precautions should be taken when handling Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate hydrochloride (CAS: 652158-84-4)?

When handling Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate hydrochloride, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and laboratory coats. The compound should be stored in a cool, dry place away from sources of heat and moisture. Spills should be handled with suitable absorbent materials and disposed of according to local hazardous waste regulations. Always refer to the Safety Data Sheet (SDS) for detailed information on storage and handling.

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