CAS 116817-84-6

α-[2-(Dimethylamino)ethyl]-3-thiophenemethanol

Description:

α-[2-(Dimethylamino)ethyl]-3-thiophenemethanol, with the CAS number 116817-84-6, is a chemical compound characterized by its unique structure that includes a thiophene ring and a dimethylaminoethyl side chain. This compound typically exhibits properties associated with both aromatic and aliphatic systems, which can influence its solubility and reactivity. The presence of the thiophene moiety often imparts interesting electronic properties, making it potentially useful in organic electronics or as a building block in pharmaceuticals. The dimethylamino group can enhance the compound's basicity and may facilitate interactions with biological targets, suggesting potential applications in medicinal chemistry. Additionally, the hydroxyl group in the structure may contribute to hydrogen bonding capabilities, affecting its physical properties such as boiling point and solubility in various solvents. Overall, this compound's characteristics make it a subject of interest in both synthetic and applied chemistry contexts.

Formula: C₉H₁₅NOS

InChI: InChI=1S/C9H15NOS/c1-10(2)5-3-9(11)8-4-6-12-7-8/h4,6-7,9,11H,3,5H2,1-2H3

InChI key: InChIKey=HKVIPLMMUMBSKB-UHFFFAOYSA-N

SMILES: C(CCN(C)C)(O)C=1C=CSC1

Synonyms:

• (S)-(+)-N,N-dimethyl-3-hydroxy-(2-thienyl)-propanamine
• (S)-1-b-Hydroxy-1-(2-thienyl)-3-dimethylaminopropane
• 3-Thiophenemethanol, A-[2-(Dimethylamino)Ethyl]-
• 3-Thiophenemethanol, A-[2-(Dimethylamino)Ethyl]-(9Ci)
• S(+)-N,N-Dimethyl-3-Hydroxy-3-(2-Thienyl)-1-Propanamine
• S-(-)-N,N-Dimethyl-3-Hydroxy-2-Thienylpropanamine
• α-[2-(Dimethylamino)ethyl]-3-thiophenemethanol
• S-(+)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)-1-propylamide

α-[2-(Dimethylamino)ethyl]-3-thiophenemethanol

CAS: 116817-84-6

Formula: C₉H₁₅NOS

Purity: 95%

Color and Shape: Solid

Molecular weight: 185.2865

Ref: IN-DA01DZRY

Duloxetine Impurity 18

CAS: 116817-84-6

Formula: C₉H₁₅NOS

Molecular weight: 185.29

Ref: 4Z-D-1146

3-(Dimethylamino)-1-(3-thienyl)propan-1-ol

CAS: 116817-84-6

3-(Dimethylamino)-1-(3-thienyl)propan-1-ol (DMAT) is an impurity that was identified in a drug product and that is not found in the natural form. DMAT is an intermediate of the synthesis of DMH, which is used as a research and development tool. DMAT has been shown to be metabolized by cytochrome P450 enzymes and other oxidative reactions, such as oxidation by cytochrome P450 enzymes or conjugation with glucuronic acid. DMAT also binds to markers expressed at high levels in Mycobacterium tuberculosis strains (e.g., ESX-1 secretion system protein) and inhibits cell growth in culture.

Formula: C₉H₁₅NOS

Purity: Min. 95%

Color and Shape: White to yellow solid.

Molecular weight: 185.29 g/mol

Ref: 3D-ID58099

3-(Dimethylamino)-1-(thiophen-3-yl)propan-1-ol

CAS: 116817-84-6

Purity: 98%

Molecular weight: 185.2899933

Ref: 10-F766366

rac-α-[2-(Dimethylamino)ethyl]-3-thiophenemethanol

Controlled Product

CAS: 116817-84-6

Applications rac-α-[2-(Dimethylamino)ethyl]-3-thiophenemethanol is an intermediate in the synthesis of rac Duloxetine 3-Thiophene Isomer (D721025). rac Duloxetine 3-Thiophene Isomer Hydrochloride is an isomeric impurity of the antidepressant Duloxetine Hydrochloride (D721000).
References Wong, D.T., et al.: Neuropsychopharmacology, 8, 23 (1993), Fuller, R.W., et al.: J. Pharmacol. Exp. Ther., 269, 132 (1994), Sharma, A., et al.: J. Clin. Pharmacol., 40, 161 (2000)

Formula: C₉H₁₅NOS

Color and Shape: Neat

Molecular weight: 185.29

Ref: TR-D471825

3-(Dimethylamino)-1-(thiophen-3-yl)propan-1-ol

CAS: 116817-84-6

Formula: C₉H₁₅NOS

Molecular weight: 185.29

Ref: ST-EA-CP-D29070