๋ชจ๋ ์ฌ์ง(1)
About This Item
์คํ์(Hill ํ๊ธฐ๋ฒ):
C8H7NO2
CAS Number:
Molecular Weight:
149.15
MDL number:
UNSPSC ์ฝ๋:
12352100
PubChem Substance ID:
NACRES:
NA.22
์ถ์ฒ ์ ํ
Quality Level
๋ถ์
99%
mp
173-175 ยฐC (lit.)
solubility
methanol: soluble 25 mg/mL, clear, colorless
SMILES string
O=C1COc2ccccc2N1
InChI
1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)
InChI key
QRCGFTXRXYMJOS-UHFFFAOYSA-N
๊ด๋ จ ์นดํ ๊ณ ๋ฆฌ
์ผ๋ฐ ์ค๋ช
2H-1,4-Benzoxazin-3(4H)-one, a benzoxazine derivative, is a heterocyclic building block for various natural and synthetic organic compounds. It has been reported as an intermediate during the biogenesis of cyclic hydoxamic acids in maize. Its standard molar enthalpy of formation and tautomerization energy of its tautomers has been evaluated by calorimetric and computational methods. It has been synthesized by reacting o-aminophenol with chloroacetyl chloride in the presence of butanone and aqueous NaHCO3.
์ ํธ์ด
Warning
์ ํด ๋ฐ ์ํ ์ฑ๋ช ์
์๋ฐฉ์กฐ์น ์ฑ๋ช ์
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
ํ์ ๊ธฐ๊ด
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point (ยฐF)
Not applicable
Flash Point (ยฐC)
Not applicable
๊ฐ์ธ ๋ณดํธ ์ฅ๋น
dust mask type N95 (US), Eyeshields, Gloves
๊ฐ์ฅ ์ต์ ๋ฒ์ ์ค ํ๋๋ฅผ ์ ํํ์ธ์:
์ด ์ ํ์ ์ด๋ฏธ ๊ฐ์ง๊ณ ๊ณ์ญ๋๊น?
๋ฌธ์ ๋ผ์ด๋ธ๋ฌ๋ฆฌ์์ ์ต๊ทผ์ ๊ตฌ๋งคํ ์ ํ์ ๋ํ ๋ฌธ์๋ฅผ ์ฐพ์๋ณด์ธ์.
2H-1,4-benzoxazin-3(4H)-one, an intermediate in the biosynthesis of cyclic hydroxamic acids in maize.
Kumar P, et al.
Phytochemistry, 36(4), 893-898 (1994)
A general and convenient synthesis of 2H-1,4-benzoxazin-3(4H)-ones.
Shridhar DR, et al.
Organic Prep. and Proc. Int., 14(3), 195-197 (1982)
Jiu Hong Wu et al.
Bioorganic & medicinal chemistry letters, 13(13), 2223-2225 (2003-06-12)
A new inhibitor of in vitro tumor cell replication, cappamensin A (1) (2H-1,4-benzoxazin-3(4H)-one, 6-methoxy-2-methyl-4-carbaldehyde), was isolated from the roots of Capparis sikkimensis subsp. formosana using bioactivity-guided fractionation. The structure of 1 was established by spectroscopic methods, including 2D NMR analyses.
Calorimetric and computational study of 2H-1,4-benzoxazin-3(4H)-one and of related species.
Matos MAR, et al.
Molecular Physics, 104(12), 1833-1841 (2006)
Recent advances in the synthesis of 2H-1, 4-benzoxazin-3-(4H)-ones and 3, 4-dihydro-2 H -1, 4-benzoxazines.
Ilas J, et al.
Tetrahedron, 61(31), 7325-7348 (2005)
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