(2S,2'S)-1,1'-[(2-Hydroxy-5-methyl-1,3-phenylene)bis(methylene)]bis[alpha,alpha-diphenyl-2-pyrrolidinemethanol] - CAS 320714-00-9
Catalog: |
BB021154 |
Product Name: |
(2S,2'S)-1,1'-[(2-Hydroxy-5-methyl-1,3-phenylene)bis(methylene)]bis[alpha,alpha-diphenyl-2-pyrrolidinemethanol] |
CAS: |
320714-00-9 |
Synonyms: |
2,6-bis[[(2S)-2-[hydroxy(diphenyl)methyl]-1-pyrrolidinyl]methyl]-4-methylphenol; 2,6-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]-4-methylphenol |
IUPAC Name: | 2,6-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]-4-methylphenol |
Description: | (2S,2'S)-1,1'-[(2-Hydroxy-5-methyl-1,3-phenylene)bis(methylene)]bis[alpha,alpha-diphenyl-2-pyrrolidinemethanol] (CAS# 320714-00-9 ) is a useful research chemical. |
Molecular Weight: | 638.84 |
Molecular Formula: | C43H46N2O3 |
Canonical SMILES: | CC1=CC(=C(C(=C1)CN2CCCC2C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)CN5CCCC5C(C6=CC=CC=C6)(C7=CC=CC=C7)O |
InChI: | InChI=1S/C43H46N2O3/c1-32-28-33(30-44-26-14-24-39(44)42(47,35-16-6-2-7-17-35)36-18-8-3-9-19-36)41(46)34(29-32)31-45-27-15-25-40(45)43(48,37-20-10-4-11-21-37)38-22-12-5-13-23-38/h2-13,16-23,28-29,39-40,46-48H,14-15,24-27,30-31H2,1H3/t39-,40-/m0/s1 |
InChI Key: | NEOVWBNAXIBNRT-ZAQUEYBZSA-N |
Storage: | Inert atmosphere. Keep cold. |
LogP: | 7.37740 |
Precautionary Statement: | P261 - P280 - P301 - P312 - P302 - P352 - P305 - P351 - P338 |
Publication Number | Title | Priority Date |
US-2002147367-A1 | Catalytic compositions and methods for asymmetric aldol reactions | 20001101 |
US-2004019239-A1 | Catalytic compositions and methods for asymmetric aldol reactions | 20001101 |
US-6610889-B2 | Catalytic compositions and methods for asymmetric aldol reactions | 20001101 |
US-6919456-B2 | Catalytic compositions and methods for asymmetric aldol reactions | 20001101 |
Complexity: | 869 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 638.35084333 |
Formal Charge: | 0 |
Heavy Atom Count: | 48 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 638.35084333 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 67.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.4 |
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