37204-63-0 ((Benzoxazinone)

快速询单

结构式：

BenzoxazinoneMOL文件

CAS号：

37204-63-0

英文名称：

Benzoxazinone

分子式：

C₈H₇NO₂

分子量：

149.146682024002

Benzoxazinone(37204-63-0)名称与标识符

名称

英文别名：

Benzoxazinone;4H-1,2-benzoxazin-3-one;SCHEMBL8162025;2H-1,2-Benzoxazin-3(4H)-one;HQQTZCPKNZVLFF-UHFFFAOYSA-N;DTXSID30601428;SCHEMBL6937;37204-63-0;

标识符

InChIKey：

HQQTZCPKNZVLFF-UHFFFAOYSA-N

Inchi：

1S/C8H7NO2/c10-8-5-6-3-1-2-4-7(6)11-9-8/h1-4H,5H2,(H,9,10)

SMILES：

O1C2C=CC=CC=2CC(N1)=O

Benzoxazinone(37204-63-0)物化性质

实验特性

PSA : 38.33

计算特性

精确分子量 : 149.04771
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 149.047678466g/mol
重原子数量 : 11
复杂度 : 170
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.1
拓扑分子极性表面积 : 38.3Å²

Benzoxazinone(37204-63-0)相关文献

1. Rediscovering the bioactivity and ecological role of 1,4-benzoxazinones
Francisco A. Macías,David Marín,Alberto Oliveros-Bastidas,José M. G. Molinillo Nat. Prod. Rep. 2009 26 478
2. Amphiphilic tetra-PCL-b-PEG star block copolymers using benzoxazinone-based linking groups
Carolin Bunk,Hartmut Komber,Michael Lang,Nora Fribiczer,Martin Geisler,Petr Formanek,Lothar Jakisch,Sebastian Seiffert,Brigitte Voit,Frank B?hme Polym. Chem. 2023 14 1965
3. Trifluoroacetic acid-promoted Michael addition–cyclization reactions of vinylogous carbamates
Ram Tilak Naganaboina,Amrita Nayak,Rama Krishna Peddinti Org. Biomol. Chem. 2014 12 3366
4. (Thio)urea-mediated benzoxazinone opening: mild approach towards synthesis of o-(substituted amido)benzamides
Roshna V. Nair,Gangadhar J. Sanjayan RSC Adv. 2014 4 7058
5. Pd-Catalyzed regioselective C–H halogenation of quinazolinones and benzoxazinones
Minoo Dabiri,Noushin Farajinia Lehi,Siyavash Kazemi Movahed,Hamid Reza Khavasi Org. Biomol. Chem. 2017 15 6264
6. A facile access to novel heterocyclic analogues of chalcone from newly synthesized ketone containing isoxazole and a benzoxazinone ring
Nishant Verma,Sumit Kumar,Naseem Ahmed RSC Adv. 2016 6 51183
7. The preparation of 2H-1,4-benzoxazin-3-(4H)-ones viapalladium-catalyzed intramolecular C–O bond formation
Kai E. O. Ylijoki,E. Peter Kündig Chem. Commun. 2011 47 10608
8. The preparation of 2H-1,4-benzoxazin-3-(4H)-ones viapalladium-catalyzed intramolecular C–O bond formation
Kai E. O. Ylijoki,E. Peter Kündig Chem. Commun. 2011 47 10608
9. Phase-transfer-catalysed asymmetric synthesis of 2,2-disubstituted 1,4-benzoxazin-3-ones
Martin Pawliczek,Yuto Shimazaki,Hidenori Kimura,Kevin M. Oberg,Saman Zakpur,Takuya Hashimoto,Keiji Maruoka Chem. Commun. 2018 54 7078
10. A carbene-catalyzed tandem isomerization/cyclisation strategy: an efficient assembly of benzoxazinones
Ming Lang,Jian Wang Org. Chem. Front. 2019 6 1367