1-(tert-Butoxycarbonyl)-2-pyrrolidinone - CAS 85909-08-6
Catalog: |
BB037762 |
Product Name: |
1-(tert-Butoxycarbonyl)-2-pyrrolidinone |
CAS: |
85909-08-6 |
Synonyms: |
tert-butyl 2-oxopyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl 2-oxopyrrolidine-1-carboxylate |
Description: | 1-(tert-Butoxycarbonyl)-2-pyrrolidinone (CAS# 85909-08-6) is a useful synthetic intermediate. It can be used to prepare highly functionalized N-acyl-2-vinylpyrrolidines by a 4-component Ugi reaction (isocyanide, carbonyl compounds, primary amines, carboxylic acids). It can also be used to synthesize the naturally occurring Maillard flavors via catalytic SeO2 oxidation. |
Molecular Weight: | 185.22 |
Molecular Formula: | C9H15NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC1=O |
InChI: | InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-5-7(10)11/h4-6H2,1-3H3 |
InChI Key: | GJJYYMXBCYYXPQ-UHFFFAOYSA-N |
Boiling Point: | 302.7 °C at 760 mmHg |
Density: | 1.133 g/cm3 |
MDL: | MFCD00674099 |
LogP: | 1.48180 |
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-112250611-A | Synthesis method of-2- (2, 5-difluorophenyl) pyrrolidine hydrochloride | 20201127 |
CN-111333561-A | Synthetic method of ralotinib intermediate (2R) -2- (2, 5-difluorophenyl) pyrrolidine | 20200430 |
CN-111333561-B | Synthetic method of ralotinib intermediate (2R) -2- (2, 5-difluorophenyl) pyrrolidine | 20200430 |
CN-111362854-A | Preparation method of ralotinib intermediate | 20200430 |
CN-111362854-B | Preparation method of ralotinib intermediate | 20200430 |
PMID | Publication Date | Title | Journal |
16836416 | 20060720 | Total syntheses of (+/-)-cis-trikentrin A and (+/-)-cis-trikentrin B via electrocyclic ring closures of 2,3-divinylpyrrolines | Organic letters |
15686380 | 20050209 | Total synthesis of the tricyclic marine alkaloids (-)-lepadiformine, (+)-cylindricine c, and (-)-fasicularin via a common intermediate formed by formic acid-induced intramolecular conjugate azaspirocyclization | Journal of the American Chemical Society |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.10519334 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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