(R)-(-)-N-Boc-3-pyrrolidinol - CAS 109431-87-0
Catalog: |
BB002467 |
Product Name: |
(R)-(-)-N-Boc-3-pyrrolidinol |
CAS: |
109431-87-0 |
Synonyms: |
(3R)-3-hydroxy-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate |
Description: | (R)-(-)-N-Boc-3-pyrrolidinol (CAS# 109431-87-0) is used in the synthesis of ligands for the nicotinic acetylcholine receptor. |
Molecular Weight: | 187.24 |
Molecular Formula: | C9H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(C1)O |
InChI: | InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h7,11H,4-6H2,1-3H3/t7-/m1/s1 |
InChI Key: | APCBTRDHCDOPNY-SSDOTTSWSA-N |
Boiling Point: | 273.3 °C at 760 mmHg |
Density: | 1.142 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD01317838 |
LogP: | 0.92600 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112341464-A | Halogen-substituted Latricinib compound | 20201015 |
CN-111606836-A | Preparation method of R-N-Boc-3-pyrrolidineacetic acid | 20200612 |
CN-111606836-B | Preparation method of R-N-Boc-3-pyrrolidineacetic acid | 20200612 |
CN-111518007-A | Synthesis method of (S) -3-pyrrolidinol hydrochloride | 20200430 |
WO-2021167882-A1 | Antiviral compounds | 20200218 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.12084340 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.12084340 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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