261432
香豆灵酸甲酯
98%
别名:
2-吡喃酮-5-甲酸甲酯, 2-氧-2H-吡喃-5-羧酸甲酯
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关于此项目
经验公式（希尔记法）:
C7H6O4
化学文摘社编号:
分子量:
154.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
227-871-1
Beilstein/REAXYS Number:
126301
MDL number:
Assay:
98%
Form:
solid
Quality Segment
assay
98%
form
solid
bp
178-180 °C/60 mmHg (lit.)
mp
65-67 °C (lit.)
functional group
ester
SMILES string
COC(=O)C1=COC(=O)C=C1
InChI
1S/C7H6O4/c1-10-7(9)5-2-3-6(8)11-4-5/h2-4H,1H3
InChI key
HHWWWZQYHPFCBY-UHFFFAOYSA-N
General description
Methyl coumalate is a 2-pyrone and acts as dienophile in Diels-Alder reaction. It reacts with 1,3-butadienes at 100°C to yield tetrahydrocoumarins and 4-methoxycarbonyltricyclo[3.2.1.02,7]octenes. It also reacts with cyclohexadiene to afford tetrahydronaphthalene-2-carboxylate. It undergoes Diels-Alder reaction with unactivated alkenes to afford para-substituted adducts.
Application
Methyl coumalate has been used as reagent in phosphine-catalyzed [4+3] annulation of modified allylic carbonates. It was also used in the preparation of 7-carboxyquinolizinium derivatives.
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)