(R)-1-Boc-3-pyrrolidinemethanol - CAS 138108-72-2
Catalog: |
BB008714 |
Product Name: |
(R)-1-Boc-3-pyrrolidinemethanol |
CAS: |
138108-72-2 |
Synonyms: |
(3R)-3-(hydroxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate |
Description: | (R)-N-Boc-pyrrolidine-3-methanol, can be used in the preparation of 3-pyridyl ether scaffold bearing a cyclopropane-containing side chain, acting as novel antidepressants that act as partial agonists at α4β2-nicotinic acetylcholine receptors. |
Molecular Weight: | 201.26 |
Molecular Formula: | C10H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(C1)CO |
InChI: | InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h8,12H,4-7H2,1-3H3/t8-/m1/s1 |
InChI Key: | HKIGXXRMJFUUKV-MRVPVSSYSA-N |
Boiling Point: | 289.5 °C at 760 mmHg |
Density: | 1.084 g/cm3 |
Appearance: | Colorless to yellow liquid |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD03094725 |
LogP: | 1.17360 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021168197-A1 | Bifunctional degraders of interleukin-1 receptor-associated kinases and therapeutic use thereof | 20200219 |
WO-2021115444-A1 | MONOCYCLIC β-LACTAM COMPOUND AND USE THEREOF | 20191213 |
WO-2020243423-A1 | Tead inhibitors and uses thereof | 20190531 |
WO-2020229968-A1 | Non-lysosomal glucosylceramidase inhibitors and uses thereof | 20190510 |
EP-3617206-A1 | Integrin inhibitors | 20180829 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.13649347 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Pyrrolidines
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