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

ALDRICH/693316 - 97%

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

CAS Number: 959979-30-7
Empirical Formula (Hill Notation): C₂₃H₂₅F₆N₃OS
Molecular Weight: 505.52
MDL Number: MFCD10567031
Linear Formula: C₂₃H₂₅F₆N₃OS
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-693316-100MG	100 mg	$155.00 1/EA	Add To Favorites
45-693316-500MG	500 mg	$712.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
form	solid
functional group	amide
	amine
	fluoro
	phenyl
	thiourea
InChI	1S/C23H25F6N3OS/c1-21(2,3)18(19(33)32(4)13-14-8-6-5-7-9-14)31-20(34)30-17-11-15(22(24,25)26)10-16(12-17)23(27,28)29/h5-12,18H,13H2,1-4H3,(H2,30,31,34)/t18-/m1/s1
InChI key	LTFFYVVCUVYZPE-GOSISDBHSA-N
mp	147-152 °C
optical activity	[α]20/D -57.0°, c = 1 in chloroform
Quality Level	100
SMILES string	CN(Cc1ccccc1)C(=O)[C@@H](NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)(C)C

Application:	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.
Packaging:	100 mg in clear glass bottle
Packaging:	500 mg in amber glass bottle

Symbol	GHS07
Signal word	Warning
Hazard statements	H302 + H312 - H315 - H319 - H335 - H413
Precautionary statements	P273 - P280 - P301 + P312 + P330 - P302 + P352 + P312 - P305 + P351 + P338
Hazard Codes	Xn
Risk Statements	20/21/22-36/37/38
Safety Statements	26-36/37
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	97%
mp	147-152 °C
UNSPSC	12352002

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