4-Formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid

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Names

[ CAS No. ]:
489-51-0

[ Name ]:
4-Formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid

[Synonym ]:
Protocetraric acid
Protocetrarsaeure

Chemical & Physical Properties

[ Density]:
1.628g/cm3

[ Boiling Point ]:
670.8ºC at 760 mmHg

[ Molecular Formula ]:
C18H14O9

[ Molecular Weight ]:
374.29800

[ Flash Point ]:
246.7ºC

[ Exact Mass ]:
374.06400

[ PSA ]:
150.59000

[ LogP ]:
2.04250

[ Vapour Pressure ]:
6.55E-19mmHg at 25°C

[ Index of Refraction ]:
1.719

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • methyl 4-formyl-8-hydroxy-9-(hydroxymethyl)-3-methoxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylate
  • methyl 3-hydroxy-8-methoxy-1,4,6,9-tetramethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate
  • methyl 4-formyl-8-hydroxy-9-hydroxymethyl-3-methoxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate
  • methyl 8-formyl-9-methoxy-2,2,6,11-tetramethyl-12-oxo-1H,12H-[1,3]benzodioxino[6,5-b][1,4]benzodioxepin-5-carboxylate
  • methyl 8-(hydroxymethyl)-9-methoxy-3,3,6,11-tetramethyl-12-oxo-1H,12H-[1,3]dioxino[4',5':5,6]benzo[1,2-b]benzo[e][1,4]dioxepine-5-carboxylate
  • methyl 8-hydroxy-4,9-bishydroxymethyl-3-methoxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate
  • 9-(3-Carboxy-acryloyloximethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid

DownStream

  • 10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid
  • 9-ethoxymethyl-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxodibenzo[b,e][1,4]dioxepin-7-carboxylic acid