trans-3-Amino-1-Boc-4-methoxypyrrolidine - CAS 429673-79-0
Catalog: |
BB025296 |
Product Name: |
trans-3-Amino-1-Boc-4-methoxypyrrolidine |
CAS: |
429673-79-0 |
Synonyms: |
(3S,4S)-3-amino-4-methoxy-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (3S,4S)-3-amino-4-methoxypyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl (3S,4S)-3-amino-4-methoxypyrrolidine-1-carboxylate |
Description: | trans-3-Amino-1-Boc-4-methoxypyrrolidine (CAS# 429673-79-0) is used in the synthesis of anti-tumor agents. |
Molecular Weight: | 216.28 |
Molecular Formula: | C10H20N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(C(C1)OC)N |
InChI: | InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-5-7(11)8(6-12)14-4/h7-8H,5-6,11H2,1-4H3/t7-,8-/m0/s1 |
InChI Key: | STYSIWNZDIJKGC-YUMQZZPRSA-N |
Boiling Point: | 287.413 °C at 760 mmHg |
Density: | 1.098 g/cm3 |
LogP: | 1.21760 |
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 |
TW-202029960-A | Novel indazole compound or its salt | 20181026 |
EP-3871673-A1 | Novel indazole compound or salt thereof | 20181026 |
US-2021253572-A1 | Imidazo[1,2-b]pyridazines as trk inhibitors | 20180823 |
TW-202016111-A | Novel tetrahydro-1H-pyrazo[2,1-a]isoindolylquinoline compound for treating autoimmune diseases | 20180605 |
BR-112020024782-A2 | tetrahydro-1h-pyrazine [2,1-a] isoindolylquinoline compounds for the treatment of autoimmune disease | 20180605 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.1473925 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.1473925 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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