1'-Boc-6-chlorospiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one - CAS 332187-61-8
Catalog: |
BB021611 |
Product Name: |
1'-Boc-6-chlorospiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one |
CAS: |
332187-61-8 |
Synonyms: |
6-chloro-2-oxo-1'-spiro[1H-3,1-benzoxazine-4,4'-piperidine]carboxylic acid tert-butyl ester; tert-butyl 6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate |
IUPAC Name: | tert-butyl 6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate |
Description: | 1'-Boc-6-chlorospiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one (CAS# 332187-61-8) is a useful research chemical. |
Molecular Weight: | 352.81 |
Molecular Formula: | C17H21ClN2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2(CC1)C3=C(C=CC(=C3)Cl)NC(=O)O2 |
InChI: | InChI=1S/C17H21ClN2O4/c1-16(2,3)24-15(22)20-8-6-17(7-9-20)12-10-11(18)4-5-13(12)19-14(21)23-17/h4-5,10H,6-9H2,1-3H3,(H,19,21) |
InChI Key: | ORBJFEDABMATJI-UHFFFAOYSA-N |
Boiling Point: | 441.6 °C at 760 mmHg |
Density: | 1.33 g/cm3 |
LogP: | 4.20420 |
Publication Number | Title | Priority Date |
EP-1973913-A1 | Indol-3-yl-carbonyl-spiro-piperidine derivatives | 20060105 |
RU-2420529-C2 | Indole-3-yl-carbonyl-spiro-piperidine derivatives | 20060105 |
US-2007155761-A1 | Indol-3-yl-carbonyl-spiro-piperidine derivatives | 20060105 |
US-7351706-B2 | Indol-3-yl-carbonyl-spiro-piperidine derivatives | 20060105 |
WO-2007077122-A1 | Indol-3-yl-carbonyl-spiro-piperidine derivatives | 20060105 |
Complexity: | 511 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 352.1189848 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 352.1189848 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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