1-(3-Ethyl-4-hydroxymethylphenyl)ethanone (Siponimod)

1-(3-Ethyl-4-hydroxymethylphenyl)ethanone (Siponimod) - Names and Identifiers

Name	1-[3-ethyl-4-(hydroxymethyl)phenyl]ethan-1-one
Synonyms	SIPO-013 1-(3-Ethyl-4-(hydroxymethyl)phenyl)ethanone 1-(3-ethyl-4-(hydroxymethyl)phenyl)ethan-1-on 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethan-1-one Ethanone, 1-[3-ethyl-4-(hydroxymethyl)phenyl]- 1-(3-ethyl-4-(hydroxymethyl)phenyl)ethan-1-one 1-(3-Ethyl-4-(hydroxymethyl)phenyl)ethanone Ethanone 1-(3-Ethyl-4-hydroxymethylphenyl)ethanone (Siponimod)
CAS	1378888-43-7
EINECS	178.23

1-(3-Ethyl-4-hydroxymethylphenyl)ethanone (Siponimod) - Physico-chemical Properties

Molecular Formula	C11H14O2
Molar Mass	178.23
Density	1.063±0.06 g/cm3(Predicted)
Boling Point	331.9±37.0 °C(Predicted)
pKa	14.26±0.10(Predicted)
Storage Condition	Inert atmosphere,Room Temperature
Use	Application 1-(3-ethyl-4-hydroxymethyl) acetophenone is an intermediate in organic synthesis and Pharmaceutical, which can be used in laboratory research and development process and chemical production process.

1-(3-Ethyl-4-hydroxymethylphenyl)ethanone (Siponimod) - Nature

boiling point	331.9±37.0 °C(Predicted)
density	1.063±0.06 g/cm3(Predicted)
storage conditions	Inert atmosphere,Room Temperature
acidity coefficient (pKa)	14.26±0.10(Predicted)

Last Update：2024-04-10 22:29:15

1-(3-Ethyl-4-hydroxymethylphenyl)ethanone (Siponimod) - Preparation

Using 2-ethylaniline as the starting material, 1-iodo-4-bromo-2-ethylbenzene was synthesized by the "one-pot method" of the 4-step reaction of amino protection, bromination, deprotection, and iodination, and then 4-bromo-2-ethylbenzyl alcohol was synthesized by Grignard exchange aldehyde group and reduction "one-pot method, after that, 1-(3-ethyl-4-hydroxymethyl) acetophenone was efficiently synthesized by 9 steps of hydroxyl protection, Grignard reaction, acetylation and deprotection. The total yield of the reaction was 50.9% and the content of the product was 98.3% by gas chromatography.

Last Update：2024-04-10 22:29:15

1-(3-Ethyl-4-hydroxymethylphenyl)ethanone (Siponimod) - Reference Information

application

1-(3-ethyl-4-hydroxymethyl) acetophenone is an organic synthesis intermediate and pharmaceutical intermediate, which can be used in laboratory research and development process and chemical production process.

Preparation

Using 2-ethylaniline as the starting material, 1-iodine -4-bromo -2-ethylbenzene was synthesized by the "one-pot" reaction of amino protection, bromination, deprotection and iodization, 4-bromo-2-ethylbenzyl alcohol was synthesized by Grignard exchange aldehyde group and reduction "one-pot method". After that, 1-(3-ethyl-4-hydroxymethyl) acetophenone was efficiently synthesized by 9 steps of hydroxyl protection, Grignard reaction, acetylation and deprotection. The total yield of the reaction was 50.9%, and the content of the product was 98.3% by gas chromatography.

Last Update：2024-04-09 21:04:16