(2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide

Base Information

Chemical Name:(2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide
CAS No.:959979-30-7
Molecular Formula:C23H25F6N3OS
Molecular Weight:505.527
Hs Code.:
Mol file:959979-30-7.mol

Synonyms:(2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide;(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide;(R)-Ru(OAc)2(SEGPHOS(R));ButanaMide, 2-[[[[3,5-bis(trifluoroMethyl)phenyl]aMino]thioxoMethyl]aMino]-N,3,3-triMethyl-N-(phenylMethyl)-, (2S)-;(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide 97%

Suppliers and Price of (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Strem Chemicals
(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide, 95%, (98% ee) (98% ee)
100mg
$ 81.00

Sigma-Aldrich
(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide 97%
100mg
$ 91.50

Sigma-Aldrich
(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide 97%
500mg
$ 442.00

American Custom Chemicals Corporation
(2S)-2-[[[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO]THIOXOMETHYL]AMINO]-N-3,3-TRIMETHYL-N-(PHENYLMETHYL)BUTANAMIDE 95.00%
1G
$ 630.00

American Custom Chemicals Corporation
(2S)-2-[[[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO]THIOXOMETHYL]AMINO]-N-3,3-TRIMETHYL-N-(PHENYLMETHYL)BUTANAMIDE 95.00%
5MG
$ 497.50

AK Scientific
(2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide
500mg
$ 660.00

AK Scientific
(2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide
100mg
$ 151.00

Total 13 raw suppliers

Chemical Property of (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide

Chemical Property:

Melting Point:147-152 °C
Boiling Point:497.5±55.0 °C(Predicted)
PKA:11.41±0.70(Predicted)
PSA：83.50000
Density:1.305±0.06 g/cm3(Predicted)
LogP:6.69530

Purity/Quality:

97% ^*data from raw suppliers

(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide, 95%, (98% ee) (98% ee) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37

MSDS Files:: SDS file from LookChem

Useful:

Uses Versatile catalyst for reactions including the Mannich reaction.

Technology Process of (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide

There total 5 articles about (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide 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: 66.0%

: 947383-62-2
(S)-t-leucine N-benzyl-N-methyl-amide

: 23165-29-9
3,5-bistrifluoromethylphenylisothiocyanate

: 959979-30-7
1-((S)-1-(N-benzyl-N-methylcarbamoyl)-2,2-dimethylpropyl)-3-(3,5-bis(trifluoromethyl)phenyl)thiourea

Guidance literature:: With triethylamine; In dichloromethane; at 20 ℃; Inert atmosphere;
DOI:10.1055/s-0036-1591911

Reference yield:

: 1032509-62-8
tert-butyl (S)-1-(N-benzyl-N-methylcarbamoyl)-2,2-dimethylpropylcarbamate

: 23165-29-9
3,5-bistrifluoromethylphenylisothiocyanate

: 959979-30-7
1-((S)-1-(N-benzyl-N-methylcarbamoyl)-2,2-dimethylpropyl)-3-(3,5-bis(trifluoromethyl)phenyl)thiourea

Guidance literature:: tert-butyl (S)-1-(N-benzyl-N-methylcarbamoyl)-2,2-dimethylpropylcarbamate; With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 2h;

3,5-bistrifluoromethylphenylisothiocyanate; With triethylamine; In dichloromethane; at 20 ℃; for 4h; Further stages.;
DOI:10.1021/ja801514m

Reference yield:

: 62965-35-9
N-tert-butyloxycarbonyl-L-tert-leucine

: 959979-30-7
1-((S)-1-(N-benzyl-N-methylcarbamoyl)-2,2-dimethylpropyl)-3-(3,5-bis(trifluoromethyl)phenyl)thiourea

Guidance literature:: Multi-step reaction with 3 steps

1: N-ethyl-N,N-diisopropylamine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 18 h / 20 °C / Inert atmosphere

2: trifluoroacetic acid / dichloromethane / 1 h / 20 °C

3: triethylamine / dichloromethane / 20 °C / Inert atmosphere

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane;
DOI:10.1055/s-0036-1591911