693316

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

97%

• Synonym(s): (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide
• Empirical Formula (Hill Notation): C₂₃H₂₅F₆N₃OS
• CAS Number: 959979-30-7
• Molecular Weight: 505.52
• MDL number: MFCD10567031
• PubChem Substance ID: 329761582
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• form: solid
• optical activity: [α]20/D -57.0°, c = 1 in chloroform
• mp: 147-152 °C
• 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
• 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

Description

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.

Application

Versatile catalyst for reactions including the Mannich reaction.

Safety Information

• Pictograms: 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 Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 4 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves