3-(2-Bromopropanoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one - CAS 158299-05-9
Catalog: |
BB011401 |
Product Name: |
3-(2-Bromopropanoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one |
CAS: |
158299-05-9 |
Synonyms: |
3-(2-bromo-1-oxopropyl)-4-spiro[1,3-benzoxazine-2,1'-cyclohexane]one; 3-(2-bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexane]-4-one |
IUPAC Name: | 3-(2-bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexane]-4-one |
Description: | 3-(2-Bromopropanoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one (CAS# 158299-05-9) is a useful research chemical compound. |
Molecular Weight: | 352.22 |
Molecular Formula: | C16H18BrNO3 |
Canonical SMILES: | CC(C(=O)N1C(=O)C2=CC=CC=C2OC13CCCCC3)Br |
InChI: | InChI=1S/C16H18BrNO3/c1-11(17)14(19)18-15(20)12-7-3-4-8-13(12)21-16(18)9-5-2-6-10-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3 |
InChI Key: | APCHXTHKSJHPPE-UHFFFAOYSA-N |
Boiling Point: | 485 °C at 760 mmHg |
Density: | 1.48 g/cm3 |
Appearance: | Pale yellow solid |
MDL: | MFCD08458252 |
LogP: | 3.42950 |
Publication Number | Title | Priority Date |
CN-106432122-A | Preparation method of 3-(2-chloro-1-oxopropyl)-spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one as meropenem intermediate | 20160908 |
WO-2015070394-A1 | Method for preparing penem antibiotic intermediate | 20131113 |
CN-102321044-A | Preparation method of 3-(2-bromo propionyl)-spiro[2H-1,3-benzoxazine-2,1'-cyclohexane]-4(3H)-one | 20110720 |
KR-20080095476-A | Method for preparing beta-methylazetidinone | 20070424 |
EP-2030977-A1 | Improved method for crystallization of azetidinonecarboxylic acid | 20060616 |
Complexity: | 433 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 351.04701 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 351.04701 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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