CAS 899822-98-1

α-(2-Nitroethyl)-4-octylbenzenemethanol

Description:

α-(2-Nitroethyl)-4-octylbenzenemethanol, identified by its CAS number 899822-98-1, is an organic compound characterized by the presence of a nitro group and a long-chain alkyl group attached to a benzene ring. This compound typically exhibits properties associated with both hydrophobic and hydrophilic regions due to its octyl group and hydroxyl functional group, respectively. The nitroethyl moiety can influence its reactivity, potentially making it a candidate for various chemical reactions, including nucleophilic substitutions or reductions. The presence of the hydroxyl group suggests that it may engage in hydrogen bonding, affecting its solubility in polar solvents. Additionally, the compound's structure may impart specific physical properties such as melting and boiling points, which are influenced by molecular weight and intermolecular interactions. Overall, α-(2-Nitroethyl)-4-octylbenzenemethanol is of interest in fields such as organic synthesis and materials science, where its unique characteristics can be utilized for various applications.

Formula: C₁₇H₂₇NO₃

InChI: InChI=1S/C17H27NO3/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)17(19)13-14-18(20)21/h9-12,17,19H,2-8,13-14H2,1H3

InChI key: InChIKey=VFJOJKCYEUPBSM-UHFFFAOYSA-N

SMILES: C(CCN(=O)=O)(O)C1=CC=C(CCCCCCCC)C=C1

Synonyms:

• α-(2-Nitroethyl)-4-octylbenzenemethanol
• 3-Nitro-1-(4-octylphenyl)propan-1-ol
• Benzenemethanol, α-(2-nitroethyl)-4-octyl-

3-Nitro-1-(4-octylphenyl)propan-1-ol

Controlled Product

CAS: 899822-98-1

Applications 3-Nitro-1-(4-octylphenyl)propan-1-ol is an intermediate in the synthesis of 1-Hydroxy-3-nitrodeamino Fingolimod (H948155), which is an impurity of Fingolimod (F805000, HCl salt), a novel immune modulator that prolongs allograft transplant survival in numberour models by inhibiting lymphocyte emigration from lymphoid organs.
References Brinkmann, V., et al.: Transplantation, 72, 764 (2001), Brinkmann, et al.: J. Biol. Chem., 277, 24, 21453 (2002), Mtaloubian, M., et al.: Nature, 427, 355 (2004),

Formula: C₁₇H₂₇NO₃

Color and Shape: Neat

Molecular weight: 293.401

Ref: TR-N901098

3-Nitro-1-(4-octylphenyl)propan-1-ol

CAS: 899822-98-1

3-Nitro-1-(4-octylphenyl)propan-1-ol is a chemical compound that has been shown to have various characteristics and uses. It acts as a chemokine and is involved in lipid peroxidation, which is the process of reactive oxygen species damaging polyunsaturated fatty acids. This compound can form cations and hydrogen bonds, making it versatile in different chemical reactions. Additionally, it has been used as a positron emission tomography (PET) tracer for imaging purposes.

Formula: C₁₇H₂₇NO₃

Purity: Min. 95%

Molecular weight: 293.4 g/mol

Ref: 3D-ZKB82298

Fingolimod Impurity 19

CAS: 899822-98-1

Formula: C₁₇H₂₇NO₃

Molecular weight: 293.41

Ref: ST-EA-CP-F2047