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

Product Name: (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide
CAS No.: 959979-30-7
Chemical Name: (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide
Synonyms: CID 75045704;(R)-Ru(OAc)2(SEGPHOS(R));(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide;(S)-N-benzyl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide;(S)-N-benzyl-2-(1-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide;(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide 97%;(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-Nbenzyl- N,3,3-trimethylbutanamide,99%e.e.;(2S)-N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N,3,3-trimethylbutanamide;(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide, 95%, (98% ee);1-((S)-1-(N-benzyl-N-methylcarbamoyl)-2,2-dimethylpropyl)-3-(3,5-bis(trifluoromethyl)phenyl)thiourea
CBNumber: CB82092537
Molecular Formula: C23H25F6N3OS
Formula Weight: 505.52
MOL File: 959979-30-7.mol

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

Melting point:: 147-152 °C
Boiling point:: 497.5±55.0 °C(Predicted)
Density: 1.305±0.06 g/cm3(Predicted)
storage temp.: 2-8°C, protect from light, stored under nitrogen
pka: 11.41±0.70(Predicted)
form: solid
Appearance: White to off-white Solid
optical activity: [α]20/D -57.0°, c = 1 in chloroform
InChIKey: LTFFYVVCUVYZPE-GOSISDBHSA-N
SMILES: CN(Cc1ccccc1)C(=O)[C@@H](NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)(C)C

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Safety

Hazard Codes: Xn
Risk Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37
WGK Germany: 3
Storage Class: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Aquatic Chronic 4
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

H413May cause long lasting harmful effects to aquatic life

Precautionary statements

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 693316
Product name: (S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide
Purity: 97%
Packaging: 100mg
Price: $155
Updated: 2026/03/19

Sigma-Aldrich

Product number: 693316
Product name: (S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide
Purity: 97%
Packaging: 500mg
Price: $712
Updated: 2026/03/19

Strem Chemicals

Product number: 07-1417
Product name: (S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide, 95%, (98% ee)
Purity: (98% ee)
Packaging: 100mg
Price: $84
Updated: 2024/03/01

AK Scientific

Product number: 2859AH
Product name: (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide
Packaging: 100mg
Price: $151
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CCH0030980
Product name: (2S)-2-[[[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO]THIOXOMETHYL]AMINO]-N-3,3-TRIMETHYL-N-(PHENYLMETHYL)BUTANAMIDE
Purity: 95.00%
Packaging: 5MG
Price: $497.5
Updated: 2021/12/16

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

Uses

Versatile catalyst for reactions including the Mannich reaction.

General Description

(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide is a chiral thiourea organocatalyst developed by the Jacobsen′s group for asymmetric organic synthesis.

(2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide Preparation Products And Raw materials

Raw materials

Preparation Products

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

China 29 Switzerland 1 United States 2 Global 32

Daicel Chiral Technologies (China)CO.,LTD

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Sigma-Aldrich

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SPIRO PHARMA

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Shanghai Chiral bio-compound co., Ltd.

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Greenherbs Science and Technology Development Co., Ltd.

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Aikon International Limited

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Wuhan FengyaoTonghui Chemical Products Co., Ltd.

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959979-30-7, (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamideRelated Search:

(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))

(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide 97%

(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-Nbenzyl- N,3,3-trimethylbutanamide,99%e.e.

(2S)-N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N,3,3-trimethylbutanamide

ButanaMide, 2-[[[[3,5-bis(trifluoroMethyl)phenyl]aMino]thioxoMethyl]aMino]-N,3,3-triMethyl-N-(phenylMethyl)-, (2S)-

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

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

(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide, 95%, (98% ee)

(S)-N-benzyl-2-(1-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide

CID 75045704

(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide

959979-30-7

C23H25F6N3OS