S-2-[[3,5-双(三氟甲基)苯基]硫脲基]-N-苄基-N,3,3-三甲基丁酰胺

pro_cas
959979-30-7
pro_cdbregno
CCD00949212
pro_formula
C23 H25 F6 N3 O S
pro_molWeight
505.525

basic_info

Product_Name: S-2-[[3,5-双(三氟甲基)苯基]硫脲基]-N-苄基-N,3,3-三甲基丁酰胺
CAS: 959979-30-7
中文同义词: S-2-[[3,5-双(三氟甲基)苯基]硫脲基]-N-苄基-N,3,3-三甲基丁酰胺
EnglishSynonyms: (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
pro_mdlNumber: MFCD10567031
pro_acceptors: 4
pro_donors: 2
pro_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

MeltingPoint: 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

secure_info

secure_symbol: GHS07 GHS07
secure_signal_word: Warning
secure_risk_stmt: H302-H312-H315-H319-H335-H413
secure_cautionary_stmt: P261-P280-P305 + P351 + P338
secure_damage_code: Xn
secure_risk_disclosure_stmt: R:20/21/22-36/37/38
secure_security_stmt: S:26-36/37
secure_wgk_germany: 3

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