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hobbyzhang
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Registry Number: 686737-06-4 _ Formula: C23 H16 O4 CA Index Name: [1,1'-Binaphthalene]-2,2'-dicarboxylic acid, monomethyl ester, (1R)- (9CI) Property Value Condition Note Bioconcentration 4700 pH 1 (1) Factor Temp: 25 癈 Bioconcentration 4650 pH 2 (1) Factor Temp: 25 癈 Bioconcentration 4240 pH 3 (1) Factor Temp: 25 癈 Bioconcentration 2250 pH 4 (1) Factor Temp: 25 癈 Bioconcentration 398 pH 5 (1) Factor Temp: 25 癈 Bioconcentration 46.0 pH 6 (1) Factor Temp: 25 癈 Bioconcentration 7.64 pH 7 (1) Factor Temp: 25 癈 Bioconcentration 3.76 pH 8 (1) Factor Temp: 25 癈 Bioconcentration 3.38 pH 9 (1) Factor Temp: 25 癈 Bioconcentration 3.34 pH 10 (1) Factor Temp: 25 癈 Boiling Point 517.8?8.0 癈 Press: 760 Torr (1) Density 1.303?.06 g/cm3 Temp: 20 癈 (1) Press: 760 Torr Enthalpy of 83.19?.0 kJ/mol Press: 760 Torr (1) Vaporization Flash Point 182.3?0.3 癈 (1) Freely Rotatable Bonds 4 (1) H Acceptors 4 (1) H Donors 1 (1) H Donor/Acceptor Sum 5 (1) Koc 14800 pH 1 (1) Temp: 25 癈 Koc 14600 pH 2 (1) Temp: 25 癈 Koc 13300 pH 3 (1) Temp: 25 癈 Koc 7070 pH 4 (1) Temp: 25 癈 Koc 1250 pH 5 (1) Temp: 25 癈 Koc 145 pH 6 (1) Temp: 25 癈 Koc 24.0 pH 7 (1) Temp: 25 癈 Koc 11.8 pH 8 (1) Temp: 25 癈 Koc 10.6 pH 9 (1) Temp: 25 癈 Koc 10.5 pH 10 (1) Temp: 25 癈 logD 5.13 pH 1 (1) Temp: 25 癈 logD 5.13 pH 2 (1) Temp: 25 癈 logD 5.09 pH 3 (1) Temp: 25 癈 logD 4.81 pH 4 (1) Temp: 25 癈 logD 4.06 pH 5 (1) Temp: 25 癈 logD 3.12 pH 6 (1) Temp: 25 癈 logD 2.35 pH 7 (1) Temp: 25 癈 logD 2.04 pH 8 (1) Temp: 25 癈 logD 1.99 pH 9 (1) Temp: 25 癈 logD 1.99 pH 10 (1) Temp: 25 癈 logP 5.135?.330 Temp: 25 癈 (1) Mass Intrinsic Solubility Sparingly Soluble Temp: 25 癈 (1) (1.4E-3 g/L) Mass Solubility Sparingly Soluble pH 1 (1) (1.4E-3 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble pH 2 (1) (1.4E-3 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble pH 3 (1) (1.6E-3 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble pH 4 (1) (3.0E-3 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble pH 5 (1) (0.017 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble pH 6 (1) (0.15 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble pH 7 (1) (0.86 g/L) Temp: 25 癈 Mass Solubility Slightly Soluble pH 8 (1) (1.8 g/L) Temp: 25 癈 Mass Solubility Slightly Soluble pH 9 (1) (2.0 g/L) Temp: 25 癈 Mass Solubility Slightly Soluble pH 10 (1) (2.0 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble Unbuffered (1) (8.9E-3 g/L) Water pH 4.68 Temp: 25 癈 Molar Intrinsic Sparingly Soluble Temp: 25 癈 (1) Solubility (4.0E-6 mol/L) Molar Solubility Sparingly Soluble pH 1 (1) (4.0E-6 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 2 (1) (4.0E-6 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 3 (1) (4.4E-6 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 4 (1) (8.3E-6 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 5 (1) (4.7E-5 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 6 (1) (4.1E-4 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 7 (1) (2.4E-3 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 8 (1) (5.0E-3 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 9 (1) (5.5E-3 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 10 (1) (5.6E-3 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble Unbuffered (1) (2.5E-5 mol/L) Water pH 4.68 Temp: 25 癈 Molar Volume 273.3?.0 cm3/mol Temp: 20 癈 (1) Press: 760 Torr Molecular Weight 356.37 (1) pKa 3.96?.30 Most Acidic (1) Temp: 25 癈 Polar Surface Area 63.6 A2 (1) Vapor Pressure 1.51E-11 Torr Temp: 25 癈 (1) Notes: (1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V8.19 for Solaris (?1994-2008 ACD/Labs) Database: REGISTRY |
3楼2008-01-19 13:12:21
hobbyzhang
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Formula: C23 H16 O4 CA Index Name: [1,1'-Binaphthalene]-2,2'-dicarboxylic acid, monomethyl ester, (1R)- (9CI) Calculated Properties -- Resources -- References: ~1 STN Files: CAPLUS, CA, CASREACT (Additional Information is available through STN International. Contact your information specialist, a local CAS representative, or the CAS Help Desk for Assistance) Database: REGISTRY |
2楼2008-01-19 13:11:27
hobbyzhang
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Heterocycles, 61, 391-401; 2003 这个有制备的 你去找这个文献把 Synthesis and evaluation of novel dirhodium(II) carboxylate catalysts with atropisomeric biaryl backbone. Hikichi, Ken; Kitagaki, Shinji; Anada, Masahiro; Nakamura, Seiichi; Nakajima, Makoto; Shiro, Motoo; Hashimoto, Shunichi. Graduate School of Pharmaceutical Sciences, Hokkaido University, Sapporo, Japan. Heterocycles (2003), 61 391-401. Publisher: Japan Institute of Heterocyclic Chemistry, CODEN: HTCYAM ISSN: 0385-5414. Journal written in English. CAN 140:391351 AN 2004:14726 CAPLUS Abstract Three new dirhodium(II) carboxylate catalysts contg. an axially dissym. biphenyl or binaphthyl skeleton were synthesized and characterized. The x-ray structure of the dirhodium(II) complex incorporating (R)-2'-methoxycarbonyl-6,6'-dimethyl-[1,1'-biphenyl]-2-carboxylate as bridging ligands demonstrates that the four carboxylate ligands are arranged in a C2-symmetry-like conformation. These catalysts provide a reasonable level of asym. induction in intramol. C-H insertion of a-methoxycarbonyl-a-diazoacetamide. Indexing -- Section 29-13 (Organometallic and Organometalloidal Compounds) Section cross-reference(s): 75 Ligands Role: RCT (Reactant); SPN (Synthetic preparation); PREP (Preparation); RACT (Reactant or reagent) (bridging; prepn. and reaction of biphenyl- and binaphthylcarboxylate with rhodium acetate to give chiral bridging-biarylcarboxylate dirhodium catalysts for the asym. C-H insertion of diazoacetamides) Crystal structure Molecular structure (of chiral dirhodium tetrakis(biphenyldicarboxylate) Atropisomers (of chiral dirhodium tetrakis(biphenyldicarboxylate) complexes) Asymmetric synthesis and induction Insertion reaction Insertion reaction catalysts (prepn. and reaction of biphenyl- and binaphthylcarboxylate with rhodium acetate to give chiral bridging-biarylcarboxylate dirhodium catalysts for the asym. C-H insertion of diazoacetamides) |
4楼2008-01-19 13:15:06
lovehappy2008
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5楼2008-01-19 13:16:23
