1-Boc-pyrrolidine-2,4-dione - CAS 182352-59-6
Catalog: |
BB013939 |
Product Name: |
1-Boc-pyrrolidine-2,4-dione |
CAS: |
182352-59-6 |
Synonyms: |
2,4-dioxo-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 2,4-dioxopyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl 2,4-dioxopyrrolidine-1-carboxylate |
Description: | 1-Boc-pyrrolidine-2,4-dione (CAS# 182352-59-6) is a useful research chemical. |
Molecular Weight: | 199.20 |
Molecular Formula: | C9H13NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(=O)CC1=O |
InChI: | InChI=1S/C9H13NO4/c1-9(2,3)14-8(13)10-5-6(11)4-7(10)12/h4-5H2,1-3H3 |
InChI Key: | JWMCWFLHZICZQD-UHFFFAOYSA-N |
Appearance: | White to yellow solid |
LogP: | 0.66080 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201639845-A | Novel heteroaryl and heterocyclic compounds, compositions and methods thereof | 20150129 |
WO-2016119707-A1 | Novel heteroaryl and heterocycle compounds, compositions and methods | 20150129 |
US-2017313704-A1 | Process for making tricyclic lactam compounds | 20141027 |
US-9969735-B2 | Process for making tricyclic lactam compounds | 20141027 |
WO-2016066490-A1 | Process for making tricyclic lactam compounds | 20141027 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.08445790 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.08445790 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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Pyrrolidines
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