(S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,N,3-trimethylbutanamide

Base Information

Chemical Name:(S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,N,3-trimethylbutanamide
CAS No.:1453095-00-5
Molecular Formula:C₁₆H₁₉F₆N₃OS
Molecular Weight:415.403
Hs Code.:

Synonyms:(S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,N,3-trimethylbutanamide

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,N,3-trimethylbutanamide

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Technology Process of (S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,N,3-trimethylbutanamide

There total 3 articles about (S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,N,3-trimethylbutanamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 65.0%

: 23165-29-9
3,5-bistrifluoromethylphenylisothiocyanate

: 1257848-66-0
(S)-2-amino-N,N,3-trimethylbutanamide hydrochloric acid

: 1453095-00-5
(S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,N,3-trimethylbutanamide

Guidance literature:: (S)-2-amino-N,N,3-trimethylbutanamide hydrochloric acid; With sodium hydrogencarbonate; In dichloromethane; water;

With triethylamine; In dichloromethane; at 20 ℃; for 0.0833333h;

3,5-bistrifluoromethylphenylisothiocyanate; In dichloromethane; at 20 ℃;
DOI:10.1021/acs.orglett.9b04263

Reference yield:

: 13734-41-3
t-Boc-L-valine

: 1453095-00-5
(S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,N,3-trimethylbutanamide

Guidance literature:: Multi-step reaction with 3 steps

1.1: N-ethyl-N,N-diisopropylamine; O-(benzotriazol-1-yl)-N,N,N,N-tetramethyluroniumhexafluorophosphate / dichloromethane / 0.08 h / 23 °C / Inert atmosphere; Sealed tube

1.2: 18 h / 23 °C / Inert atmosphere; Sealed tube

2.1: hydrogenchloride / dichloromethane; 1,4-dioxane / 1.5 h / 23 °C / Inert atmosphere; Sealed tube

3.1: triethylamine / dichloromethane / 0.08 h / 23 °C / Inert atmosphere; Sealed tube

3.2: 16 h / 0 - 23 °C / Inert atmosphere; Sealed tube

With hydrogenchloride; triethylamine; N-ethyl-N,N-diisopropylamine; O-(benzotriazol-1-yl)-N,N,N,N-tetramethyluroniumhexafluorophosphate; In 1,4-dioxane; dichloromethane;
DOI:10.1021/jacs.7b06811

Reference yield:

: 132393-07-8
(S)-tert-butyl (1-(dimethylamino)-3-methyl-1-oxobutan-2-yl)carbamate

: 1453095-00-5
(S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,N,3-trimethylbutanamide

Guidance literature:: Multi-step reaction with 2 steps

1.1: acetyl chloride / methanol / 6 h / 0 - 20 °C

2.1: sodium hydrogencarbonate / water; dichloromethane

2.2: 0.08 h / 20 °C

2.3: 20 °C

With sodium hydrogencarbonate; acetyl chloride; In methanol; dichloromethane; water;
DOI:10.1021/acs.orglett.9b04263