693472

(S)-2-[[(1R,2R)-2-[[[3,5-Bis(tert-butyl)-2-hydroxyphenyl]methylene]amino]cyclohexyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide

technical grade

• Synonym(s): (2S)-2-[[[[(1R,2R)-2-[[[3,5-Bis(1,1-dimethylethyl)-2-hydroxyphenyl]methylene]amino]cyclohexyl]amino]thioxomethyl]amino]-N,3,3-trimethyl-N-(phenylmethyl)butanamide, (2S)-2-[[[[(1R,2R)-2-[[[3,5-Bis(tert-butyl)-2-hydroxyphenyl]methylene]amino]cyclohexyl]amino]thioxomethyl]amino]-N-benzyl-N,3,3-trimethylbutanamide
• Empirical Formula (Hill Notation): C₃₆H₅₄N₄O₂S
• CAS Number: 479423-24-0
• Molecular Weight: 606.90
• MDL number: MFCD10567036
• UNSPSC Code: 12352116
• PubChem Substance ID: 329761594

Properties

• grade: technical grade
• optical activity: [α]22/D -99°, c = 1 in chloroform
• mp: 153-163 °C
• SMILES string: CN(Cc1ccccc1)C(=O)[C@@H](NC(=S)N[C@@H]2CCCC[C@H]2\N=C\c3cc(cc(c3O)C(C)(C)C)C(C)(C)C)C(C)(C)C
• InChI: 1S/C36H54N4O2S/c1-34(2,3)26-20-25(30(41)27(21-26)35(4,5)6)22-37-28-18-14-15-19-29(28)38-33(43)39-31(36(7,8)9)32(42)40(10)23-24-16-12-11-13-17-24/h11-13,16-17,20-22,28-29,31,41H,14-15,18-19,23H2,1-10H3,(H2,38,39,43)/b37-22+/t28-,29-,31-/m1/s1
• InChI key: IJFFARBIZKKZOA-PVKOWITJSA-N

Description

Application

Catalyst for the Mannich reaction

Catalyst involved in:

• Enantioselective Pictet-Spengler-type cyclizations of hydroxylactams
• Aza-Baylid-Hillman reactions
• Hydrophosphonylation of imines
• Studies of the effect of structure of molecule on asymmetric Strecker and Mannich reactions

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: 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