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(2S)-N-[(1S)-1-(Hydroxydiphenylmethyl)-3-methylbutyl]-2-pyrrolidinecarboxamide - 98%, high purity , CAS No.910110-45-1
Basic Description
| Specifications & Purity | ≥98% |
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| Shipped In | Normal |
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Names and Identifiers
| Pubchem Sid | 488197804 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488197804 |
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| IUPAC Name | (2S)-N-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide |
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| INCHI | InChI=1S/C23H30N2O2/c1-17(2)16-21(25-22(26)20-14-9-15-24-20)23(27,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-21,24,27H,9,14-16H2,1-2H3,(H,25,26)/t20-,21-/m0/s1 |
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| InChi Key | PWBULUUPVDXEQS-SFTDATJTSA-N |
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| Canonical SMILES | CC(C)CC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)NC(=O)C3CCCN3 |
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| Isomeric SMILES | CC(C)C[C@@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)NC(=O)[C@@H]3CCCN3 |
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| WGK Germany | 3 |
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| PubChem CID | 11954678 |
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| Molecular Weight | 366.51 |
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| Beilstein | 10473300 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Solubility | Soluble in Methanol |
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| Specific Rotation[α] | -47° (C=1,CHCl3) |
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| Melt Point(°C) | 193 °C |
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| Molecular Weight | 366.500 g/mol |
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| XLogP3 | 3.700 |
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| Hydrogen Bond Donor Count | 3 |
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| Hydrogen Bond Acceptor Count | 3 |
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| Rotatable Bond Count | 7 |
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| Exact Mass | 366.231 Da |
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| Monoisotopic Mass | 366.231 Da |
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| Topological Polar Surface Area | 61.400 Ų |
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| Heavy Atom Count | 27 |
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| Formal Charge | 0 |
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| Complexity | 449.000 |
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| Isotope Atom Count | 0 |
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| Defined Atom Stereocenter Count | 2 |
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| Undefined Atom Stereocenter Count | 0 |
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| Defined Bond Stereocenter Count | 0 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 0 |
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| Covalently-Bonded Unit Count | 1 |
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References
| 1. Monika Raj, Vishnumaya Vishnumaya, Sandeep K Ginotra, Vinod K Singh,. (2006-08-25) Highly enantioselective direct aldol reaction catalyzed by organic molecules.. Organic letters, 8 ((18)): ( 4097-4099 ). [PMID:16928083] |
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