CAS 68711-40-0

(3S,4S)-3-Hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one

Description:

(3S,4S)-3-Hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one, with the CAS number 68711-40-0, is a chemical compound characterized by its oxetane ring structure, which is a four-membered cyclic ether. This compound features a hexyl group and a hydroxytridecyl substituent, indicating it has both hydrophobic and hydrophilic characteristics, which may influence its solubility and interaction with biological systems. The stereochemistry denoted by (3S,4S) and (2S) suggests specific spatial arrangements of atoms, which can significantly affect the compound's reactivity and biological activity. Oxetanes are known for their stability and can participate in various chemical reactions, making them valuable in synthetic organic chemistry. The presence of a hydroxy group also suggests potential for hydrogen bonding, which can enhance solubility in polar solvents and influence the compound's physical properties. Overall, this compound may have applications in fields such as pharmaceuticals, materials science, or as a surfactant, depending on its specific properties and reactivity.

Formula: C₂₂H₄₂O₃

InChI: InChI=1S/C22H42O3/c1-3-5-7-9-10-11-12-13-14-16-19(23)18-21-20(22(24)25-21)17-15-8-6-4-2/h19-21,23H,3-18H2,1-2H3/t19-,20-,21-/m0/s1

InChI key: InChIKey=RSOUWOFYULUWNE-ACRUOGEOSA-N

SMILES: C([C@H](CCCCCCCCCCC)O)[C@H]1[C@H](CCCCCC)C(=O)O1

Synonyms:

• (3S,4S)-3-Hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one
• (3S,4S)-3-Hexyl-4-[(2S)-2-hydroxytridecyl]-2-oxetanone
• 2-Oxetanone, 3-hexyl-4-[(2S)-2-hydroxytridecyl]-, (3S,4S)-
• 2-Oxetanone, 3-hexyl-4-(2-hydroxytridecyl)-, [3S-[3α,4β(R*)]]-

(3S,4S)-3-Hexyl-4-((S)-2-hydroxytridecyl)oxetan-2-one

CAS: 68711-40-0

Formula: C₂₂H₄₂O₃

Color and Shape: Solid

Molecular weight: 354.5671

Ref: IN-DA0061QU

Orlistat Impurity 33

CAS: 68711-40-0

Formula: C₂₂H₄₂O₃

Molecular weight: 354.58

Ref: 4Z-O-01858

(3S,4S)-3-Hexyl-4-[(2S)-2-hydroxytridecyl]-2-oxetanone

Controlled Product

CAS: 68711-40-0

Applications (3S,4S)-3-Hexyl-4-[(2S)-2-hydroxytridecyl]-2-oxetanone is an analog of Tetrahydrolipstatin, an inhibitor of the hydrolysis of endocannabinoid 2-arachidonoylglycerol (2-AG), also an intermediate in the preparation of Orlistat (O686500).
References Mechoulam, R., et al.: Biochem. Pharmacol., 50, 83 (1995), Bisogno, T., et al.: J. Cell Biol., 163, 463 (2003), Di Marzo, V., et al.: Nat. Rev. Drug Discovery, 7, 438 (2008), Ortar, G., et al.: J. Med. Chem., 51, 6970 (2008),

Formula: C₂₂H₄₂O₃

Color and Shape: Neat

Molecular weight: 354.57

Ref: TR-H296535

Orlistat Impurity 33

CAS: 68711-40-0

Formula: C₂₂H₄₂O₃

Molecular weight: 354.58

Ref: ST-EA-CP-O11038