(R)-(+)-1-Benzyl-3-pyrrolidinol - CAS 101930-07-8
Catalog: |
BB000702 |
Product Name: |
(R)-(+)-1-Benzyl-3-pyrrolidinol |
CAS: |
101930-07-8 |
Synonyms: |
(3R)-1-(phenylmethyl)-3-pyrrolidinol; (3R)-1-benzylpyrrolidin-3-ol |
IUPAC Name: | (3R)-1-benzylpyrrolidin-3-ol |
Description: | (R)-(+)-1-Benzyl-3-pyrrolidinol (CAS# 101930-07-8) is a chiral building block used for the synthesis of various pharmaceutical and biologically active compounds. It can be used for the preparation of beta-proline like derivatives, acting as sodium channel blockers. |
Molecular Weight: | 177.24 |
Molecular Formula: | C11H15NO |
Canonical SMILES: | C1CN(CC1O)CC2=CC=CC=C2 |
InChI: | InChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m1/s1 |
InChI Key: | YQMXOIAIYXXXEE-LLVKDONJSA-N |
Boiling Point: | 116 °C at 1 mmHg |
Purity: | ≥ 98 %, ≥ 95 % e.e. |
Density: | 1.07 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
MDL: | MFCD00075484 |
LogP: | 1.19110 |
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 |
17368401 | 20070201 | Purification and characterization of alcohol dehydrogenase reducing N-benzyl-3-pyrrolidinone from Geotrichum capitatum | Journal of bioscience and bioengineering |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.115364102 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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