Vulpic acid

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Names

[ CAS No. ]:
521-52-8

[ Name ]:
Vulpic acid

[Synonym ]:
vulpinic acid

Chemical & Physical Properties

[ Density]:
1.375g/cm3

[ Boiling Point ]:
568.8ºC at 760mmHg

[ Melting Point ]:
146-148ºC

[ Molecular Formula ]:
C19H14O5

[ Molecular Weight ]:
322.31

[ Flash Point ]:
210.2ºC

[ Exact Mass ]:
322.08400

[ PSA ]:
72.83000

[ LogP ]:
3.09680

[ Index of Refraction ]:
1.656

[ Storage condition ]:
-20°C Freezer

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HF3500000
CHEMICAL NAME :
Delta(sup 2(5H),alpha)-furanacetic acid, 3-hydroxy-5-oxo-alpha,4-diphenyl-, methyl ester
CAS REGISTRY NUMBER :
521-52-8
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C19-H14-O5
MOLECULAR WEIGHT :
322.33
WISWESSER LINE NOTATION :
T5VOYJ CUYR&VO1 DQ ER

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,30,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 2,109,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02804

Safety Information

[ Risk Phrases ]:
28

[ Safety Phrases ]:
1-22-45

[ RIDADR ]:
UN 3172

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Oxalyl chloride
  • Diethoxy(phenyl)vinylsilane
  • Methanol
  • Pulvinic anhydride
  • Methyl phenylglyoxylate
  • 6-Benzyliden-3-hydroxy-4-phenyl-2H-pyran-2,5(6H)-dion
  • 3-hydroxy-1,4-diphenylbutan-2-one
  • 2,5-Dihydroxy-3,6-diphenyl-p-benzoquinone
  • Phenylacetaldehyde

DownStream

  • (αE)-α-[3-Hydroxy-4-phenyl-5-oxofuran-2(5H)-ylidene]benzeneacetic acid

Related Compounds

  • Thiovaleric acid S-sec-butyl ester
  • Octanethioic acid S-propyl ester
  • Hexanethioic acid S-decyl ester
  • Thiopropionic acid S-undecyl ester
  • trisporic acid
  • Benzoic acid, 3,4-dihydroxy-, 2-Methylpropyl ester
  • tert-butyl N-{1-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]-2-oxoethyl}carbamate
  • Methyl 4-(1-{[(tert-butoxy)carbonyl](methyl)amino}-2-oxoethyl)-2-methylbenzoate
  • tert-butyl N-[1-(3-chlorothiophen-2-yl)-2-oxoethyl]-N-methylcarbamate
  • tert-butyl N-[1-(4-methyl-3-nitrophenyl)-2-oxoethyl]carbamate
  • tert-butyl N-[1-oxo-2-(pyridin-2-yl)propan-2-yl]carbamate
  • tert-butyl N-methyl-N-{1-oxo-2-[2-(1H-pyrazol-1-yl)phenyl]propan-2-yl}carbamate
  • tert-butyl N-{2-[5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1-oxopropan-2-yl}carbamate
  • 2-(2-Bromo-1,3-thiazol-4-yl)-2-methylpropanal
  • tert-butyl N-[2-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl]-N-methylcarbamate
  • methyl (3R)-3-hydroxy-3-(2,3,6-trifluorophenyl)propanoate
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