1-Boc-3-methylenepyrrolidine - CAS 114214-71-0
Catalog: |
BB003324 |
Product Name: |
1-Boc-3-methylenepyrrolidine |
CAS: |
114214-71-0 |
Synonyms: |
3-methylene-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-methylidenepyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-methylidenepyrrolidine-1-carboxylate |
Description: | 3-Methylenepyrrolidine-1-carboxylic Acid tert-Butyl Ester, can be used as an intermediate for variety of chemical synthesis. It can be used for the preparation of aminomethylated 4-fluoropiperidines and 3-fluoropyrrolidines, which are of specific interest as bifunctional building blocks for fluorinated pharmaceutical compds. |
Molecular Weight: | 183.25 |
Molecular Formula: | C10H17NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(=C)C1 |
InChI: | InChI=1S/C10H17NO2/c1-8-5-6-11(7-8)9(12)13-10(2,3)4/h1,5-7H2,2-4H3 |
InChI Key: | PXTONRTYYUAUJU-UHFFFAOYSA-N |
LogP: | 2.12130 |
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 |
CN-113072476-A | ROR gamma t inhibitor and preparation method and application thereof | 20200106 |
WO-2021139599-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 20200106 |
WO-2021096284-A1 | Glp-1 receptor agonist and use thereof | 20191115 |
WO-2021097240-A1 | Compounds and uses thereof | 20191113 |
WO-2021061823-A1 | Chemical compounds | 20190923 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.125928785 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Related Functional Groups
Pyrrolidines
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