(1R,2S)-1-Phenyl-2-(1-pyrrolidinyl)-1-propanol - CAS 127641-25-2
Catalog: |
BB006816 |
Product Name: |
(1R,2S)-1-Phenyl-2-(1-pyrrolidinyl)-1-propanol |
CAS: |
127641-25-2 |
Synonyms: |
(1R,2S)-1-phenyl-2-(1-pyrrolidinyl)-1-propanol; (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol |
IUPAC Name: | (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol |
Description: | (1R,2S)-1-Phenyl-2-(1-pyrrolidinyl)-1-propanol (CAS# 127641-25-2) is a chiral building block used in asymmetric synthesis. It is also used as a novel heterodimer chiral amide base for enantioselective deprotonation of ketones. |
Molecular Weight: | 205.30 |
Molecular Formula: | C13H19NO |
Canonical SMILES: | CC(C(C1=CC=CC=C1)O)N2CCCC2 |
InChI: | InChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13-/m0/s1 |
InChI Key: | FZVHJGJBJLFWEX-AAEUAGOBSA-N |
Boiling Point: | 321.268 °C at 760 mmHg |
Density: | 1.076 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD01632702 |
LogP: | 2.14220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22421710 | 20120428 | Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones | Organic & biomolecular chemistry |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.146664230 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.146664230 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 23.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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