124993-59-5

Basic information

• Product Name: C₁₃₁H₁₁₂O₂₂*C₄H₉NO
• Synonyms: C₁₃₁H₁₁₂O₂₂*C₄H₉NO
• CAS NO: 124993-59-5
• Molecular Weight: 2125.44
• Mol File: 124993-59-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₃₁H₁₁₂O₂₂*C₄H₉NO(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₃₁H₁₁₂O₂₂*C₄H₉NO(124993-59-5)
• EPA Substance Registry System: C₁₃₁H₁₁₂O₂₂*C₄H₉NO(124993-59-5)

Safety Data

• Hazardous Substances Data: 124993-59-5(Hazardous Substances Data)

Upstream product

• 74-97-5 chlorobromomethane 
• 127-19-5 N,N-dimethyl acetamide 
• 125023-20-3 1,21,23,25-tetrakis(2-phenylethyl)-2,20:3,19-dimetheno-1H,21H,23H,25H-bis<1,3>dioxocino<5,4-i:5',4'-i'>benzo<1,2-d:5,4-d'>-bis<1,3>benzodioxocin-7,11,15-triol 

Downstream Products

• 124993-58-4 1,19,21,29,47,49,57,62-octakis(2-phenylethyl)-13,59-(epoxymethanoxy)-23,27:51,55-dimethano-2,46:3,45:17,31:18,30-tetrametheno-1H,19H,21H,29H,47H,49H-bis<1,3>benzodioxocino<9,8-d:9',8'-d''><1,3,6,8,11,13,16,18>octaoxacycloeicosino<4,5-j:10,9-j':14,15-... 
• 127-19-5 N,N-dimethyl acetamide 

Relevant articles and documents

Guest release and capture by hemicarcerands introduces the phenomonen of constructive binding

Two rigidly hemispherical cavitands containing three out of four phenolic hydroxyl regularly on their rims were shell by their with of CH2BrCl and K2CO3 in (CH3)2NCHO, (CH3)2NCOCH3, or (CH3)2SO to give 1·(CH3)2NCHO (20%), 1·(CH3)2NCOCH3 (42%), or 1·(CH3)2SO (51%), respectively. The crystal structure of 1·(CH3)2NCHO·2CH 3CN·2CHCl3 shows the (CH3)2NCHO guest to be firmly within the cavity, the other molecules acting as solvates. The guest's carbonyl group is pointed toward the portal connecting the inner and outer phases. Upon heating in solvents too large to occupy the cavity, these complexes released their guests to give free hemicarcerand 1. The t1/2 for decomplexation in 1,2,4-Cl3C6H3 at 140°C for 1·(CH3)2NCHO and 1·(CH3)2NCOCH2 were 14 and 34 h, respectively, and for 1·(CH3)2SO at 195°C, 24 h. When 1 was dissolved in the of small molecules such as CH3CN, CS2, CH2Cl2, or CH2Br2, new hemicarcerands 1·CH3CN, 1·CS2, 1·CH2Cl2, and 1·CH2Br2, respectively, were formed, isolated, and characterized. Complexes 1·O2, 1·N2, 1·H2O, and 1·Xe in CDCl3 solution were prepared and detected by the effect of on the 1H NMR of the host. Only 1·Xe was kinetically stable and subject to isolation and characterization. The association of 1 with N2 in CDCl3 at 22°C was estimated to be ～180 M-1, with O2 to be ～ 44 M-1, and with Xe to be ～200 M-1. The t1/2 value for 1·Xe dissociating in CDCl3 at 22°C was 47 h. Formation of 1·C6H6, 1·(CH2)4O, and 1middot;C5H5N of refluxing 1 in as solvent, and to 80, 100, and 100% completion, respectively. Heating 1 in a 5:1 solution of C6H5Cl-Et2NH at 65°C (4 h) a 70% conversion to 1·Et2NH. Heating 1 in 4:1 of C6H5Cl-CH3(CH2)3NH 2 at 105°C (24 h) gave a 90% conversion to 1·CH3(CH2)3NH2. No hemicarceplexes were when 1 was at in CHCl3, C6H5Cl, C6H5CH3, (CH3)2CHC6H5, or 1,2,4-Cl3C6H3. The 1H signal of incarcerated were moved upfield by 1-4 while the 129Xe signal of 1·Xe was moved upfield 101 ppm compared to free in CDCl3. We the term constructive binding to describe the steric forces that must be overcome for decomptexation of hemicarceplexes whose cross sectional sizes exceed those of the host's portals.