trans-1-Boc-3-(benzylamino)-4-hydroxypyrrolidine - CAS 138026-89-8
Catalog: |
BB008703 |
Product Name: |
trans-1-Boc-3-(benzylamino)-4-hydroxypyrrolidine |
CAS: |
138026-89-8 |
Synonyms: |
(3R,4R)-3-hydroxy-4-[(phenylmethyl)amino]-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (3R,4R)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl (3R,4R)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate |
Description: | trans-1-Boc-3-(benzylamino)-4-hydroxypyrrolidine (CAS# 138026-89-8 ) is a useful research chemical. |
Molecular Weight: | 292.37 |
Molecular Formula: | C16H24N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(C(C1)O)NCC2=CC=CC=C2 |
InChI: | InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-10-13(14(19)11-18)17-9-12-7-5-4-6-8-12/h4-8,13-14,17,19H,9-11H2,1-3H3/t13-,14-/m1/s1 |
InChI Key: | GVYATPKTSSTHKN-ZIAGYGMSSA-N |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
LogP: | 2.08520 |
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 |
Publication Number | Title | Priority Date |
WO-2021121363-A1 | Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis b infections | 20191220 |
AU-2017205320-A1 | Fused quadracyclic compounds, compositions and uses thereof | 20160104 |
CA-3010213-A1 | Fused quadracyclic compounds, compositions and uses thereof | 20160104 |
EP-3400228-A1 | Fused quadracyclic compounds, compositions and uses thereof | 20160104 |
JP-2019501971-A | Fused tetracyclic compounds, compositions and uses thereof | 20160104 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.17869263 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.17869263 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 61.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Pyrrolidines
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