(2S)-2-[[[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO]THIOXOMETHYL]AMINO]-N-3,3-TRIMETHYL-N-(PHENYLMETHYL)BUTANAMIDE

CAS No.
959979-30-7
CCD No.
CCD00949212
Formula
C23 H25 F6 N3 O S
MolWeight
505.525

Basic Information

Product Name: (2S)-2-[[[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO]THIOXOMETHYL]AMINO]-N-3,3-TRIMETHYL-N-(PHENYLMETHYL)BUTANAMIDE
CAS: 959979-30-7
English Synonyms: (S)-2-[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]THIOUREIDO]-N-BENZYL-N,3,3-TRIMETHYLBUTANAMIDE ; (2S)-2-[[[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO]THIOXOMETHYL]AMINO]-N-3,3-TRIMETHYL-N-(PHENYLMETHYL)BUTANAMIDE
MDL Number.: MFCD10567031
H bond acceptor: 4
H bond donor: 2
Smile: CC(C)(C)[C@@H](C(=O)N(C)Cc1ccccc1)NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F
InChi: 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
InChiKey: InChIKey=LTFFYVVCUVYZPE-GOSISDBHSA-N

Property

Melting Point: 147-152 DEG C
Comments: APPLICATION: VERSATILE CATALYST FOR REACTIONS INCLUDING THE MANNICH REACTION
OPTICAL ACTIVITY: [ALPHA]20/D -57.0 DEG, C = 1 IN CHLOROFORM
PROTOCOLS AND APPLICATIONS: ASYMMETRIC STRECKER REACTIONS USING JACOBSEN THIOUREAS
UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H302-H312-H315-H319-H335-H413
Precautionary statements: P261-P280-P305 + P351 + P338
hazard symbol: Xn
Risk Code: R:20/21/22-36/37/38
Safe Code: S:26-36/37
WGK Germany: 3

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