2-Oxo-2H-1-benzopyran-3-carboxylic acid methyl ester

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Names

[ CAS No. ]:
21259-42-7

[ Name ]:
2-Oxo-2H-1-benzopyran-3-carboxylic acid methyl ester

[Synonym ]:
2-Oxo-2H-chromene-3-carboxylic acid methyl ester
Methyl 2-oxo-2H-chromene-3-carboxylate
methyl 2-oxochromen-3-carboxylate
F0110-0035
2-Oxo-2H-1-benzopyran-3-carboxylic acid methyl ester
2-oxochromene-3-carboxylic acid methyl ester
2H-1-BENZOPYRAN-3-CARBOXYLIC ACID,2-OXO-,METHYL ESTER
methyl coumarin-3-carboxylate

Chemical & Physical Properties

[ Density]:
1.337g/cm3

[ Boiling Point ]:
368.9ºC at 760 mmHg

[ Molecular Formula ]:
C11H8O4

[ Molecular Weight ]:
204.17900

[ Flash Point ]:
192.9ºC

[ Exact Mass ]:
204.04200

[ PSA ]:
56.51000

[ LogP ]:
1.57960

[ Vapour Pressure ]:
1.23E-05mmHg at 25°C

[ Index of Refraction ]:
1.578

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ2502400
CHEMICAL NAME :
2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, methyl ester
CAS REGISTRY NUMBER :
21259-42-7
BEILSTEIN REFERENCE NO. :
0176130
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H8-O4
MOLECULAR WEIGHT :
204.19

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
72 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 75,1486,1955

Safety Information

[ HS Code ]:
2932209090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Salicylaldehyde
  • Dimethyl malonate
  • methyl 2-hydroxyiminochromene-3-carboxylate
  • 2-Methylbenzyl Alcohol
  • Dimethyl but-2-ynedioate
  • Methanol
  • Coumarin-3-carboxylic acid

DownStream

  • 3-(1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
  • Ethyl coumarin-3-carbaoxylate
  • Coumarin-3-carboxylic acid
  • COUMARIN-3-CARBOXYLIC ACID CHLORIDE

Customs

[ HS Code ]: 2932209090

[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 3-(3-Fluoro-2-methoxyphenyl)-2-hydroxy-3-methylbutanoic acid
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide