3-{2-[2-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethoxy]ethoxy}propanoic acid | CAS No. 1365655-89-5

3-{2-[2-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethoxy]ethoxy}propanoic acid

Basic Information

CAS Number

1365655-89-5

Molecular Formula

C17H29N3O6S

Molecular Weight

403.5 g/mol

AD

Basic Physical Properties

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCC(=O)O)NC(=O)N2

InChI

InChI=1S/C17H29N3O6S/c21-14(18-6-8-26-10-9-25-7-5-15(22)23)4-2-1-3-13-16-12(11-27-13)19-17(24)20-16/h12-13,16H,1-11H2,(H,18,21)(H,22,23)(H2,19,20,24)/t12-,13-,16-/m0/s1

InChIKey

SDOAIZRTYJIBBG-XEZPLFJOSA-N

LogP

0.3363000000000023

Topological Polar Surface Area

125.99000000000001 Ų

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

507

Synonyms & References

English

  • Biotin-PEG2-acid

MDL Number

MFCD22056305

FAQ

What are the physical and chemical properties of 3-{2-[2-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethoxy]ethoxy}propanoic acid (CAS: 1365655-89-5)?

3-{2-[2-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethoxy]ethoxy}propanoic acid is a crystalline solid with a molecular weight of approximately 700.72 g/mol. It is sparingly soluble in water and ethanol. Chemically, it exhibits moderate reactivity towards bases and can undergo hydrolysis under basic conditions. It is stable to light and air at room temperature, but should be stored in a dry, cool place to prevent degradation.

How is 3-{2-[2-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethoxy]ethoxy}propanoic acid (CAS: 1365655-89-5) typically synthesized?

3-{2-[2-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethoxy]ethoxy}propanoic acid is synthesized via a multi-step process involving the condensation of a thienoimidazole derivative with a propionic acid. The reaction typically requires a mild base catalyst and is carried out in a polar aprotic solvent. The overall yield is around 70-80%, and the product is purified by recrystallization or column chromatography.

What industries use 3-{2-[2-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethoxy]ethoxy}propanoic acid (CAS: 1365655-89-5)?

3-{2-[2-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethoxy]ethoxy}propanoic acid finds applications in the pharmaceutical industry due to its potential biological activity. It is also used in the development of sensor technologies and as a building block in polymer synthesis. Its unique chemical structure makes it a valuable reagent in academic and industrial research settings.

What precautions should be taken when handling 3-{2-[2-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethoxy]ethoxy}propanoic acid (CAS: 1365655-89-5)?

When handling 3-{2-[2-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethoxy]ethoxy}propanoic acid, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn to prevent skin and eye contact. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spill, the area should be ventilated and the spill cleaned up using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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