Product Name

  • Name

    3,4,5,2',3',4'-Hexahydroxybenzophenone

  • EINECS 257-945-9
  • CAS No. 52479-85-3
  • Article Data6
  • CAS DataBase
  • Density 1.759 g/cm3
  • Solubility
  • Melting Point 245 ºC
  • Formula C13H10 O7
  • Boiling Point 674.6 °C at 760 mmHg
  • Molecular Weight 278.218
  • Flash Point 375.8 °C
  • Transport Information
  • Appearance Yellow solid.
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 52479-85-3 (3,4,5,2',3',4'-Hexahydroxybenzophenone)
  • Hazard Symbols
  • Synonyms 2,3,3',4,4',5'-Hexahydroxybenzophenone;2,3,4,3',4',5'-Hexahydroxybenzophenone; 3,4,5,2',3',4'-Hexahydroxybenzophenone;4-Galloylpyrogallol; Adlone; Exifone; NSC 680919
  • PSA 138.45000
  • LogP 1.15120

Synthetic route

2,3,4-trihydroxybenzoic acid
610-02-6

2,3,4-trihydroxybenzoic acid

2-hydroxyresorcinol
87-66-1

2-hydroxyresorcinol

2,3,4,3',4',5'-hexahydroxybenzophenone
52479-85-3

2,3,4,3',4',5'-hexahydroxybenzophenone

Conditions
ConditionsYield
With zinc(II) chloride; trichlorophosphate at 70℃; for 2.5h; Friedel-Crafts reaction;90%
Stage #1: 2,3,4-trihydroxybenzoic acid; 2-hydroxyresorcinol With zinc(II) chloride; trichlorophosphate at 70℃; for 2.5h;
Stage #2: With water at 4℃; for 24h; Cooling with ice;		90%
3,4,5-trihydroxybenzoic acid
149-91-7

3,4,5-trihydroxybenzoic acid

2-hydroxyresorcinol
87-66-1

2-hydroxyresorcinol

2,3,4,3',4',5'-hexahydroxybenzophenone
52479-85-3

2,3,4,3',4',5'-hexahydroxybenzophenone

Conditions
ConditionsYield
With zinc(II) chloride at 125 - 140℃;
With zinc(II) chloride at 120℃;
in Gegenwart eines Kondensationsmittels;
2,3,4,3',4',5'-hexahydroxybenzophenone
52479-85-3

2,3,4,3',4',5'-hexahydroxybenzophenone

α-bromoacetophenone
70-11-1

α-bromoacetophenone

A

<2,3,4-trihydroxyphenyl><3',5'-dihydroxy-4'-(2-oxo-2-phenylethoxy)phenyl>methanone
167566-22-5

<2,3,4-trihydroxyphenyl><3',5'-dihydroxy-4'-(2-oxo-2-phenylethoxy)phenyl>methanone

B

2-{4-[3,5-Dihydroxy-4-(2-oxo-2-phenyl-ethoxy)-benzoyl]-2,3-dihydroxy-phenoxy}-1-phenyl-ethanone

2-{4-[3,5-Dihydroxy-4-(2-oxo-2-phenyl-ethoxy)-benzoyl]-2,3-dihydroxy-phenoxy}-1-phenyl-ethanone

Conditions
ConditionsYield
With lithium carbonate In N,N-dimethyl-formamide for 15h; Ambient temperature;A 40%
B 20%
...Expand
2,3,4,3',4',5'-hexahydroxybenzophenone
52479-85-3

2,3,4,3',4',5'-hexahydroxybenzophenone

methyl iodide
74-88-4

methyl iodide

A

(2,3,4-trihydroxyphenyl)(3',5'-dihydroxy-4'-methoxyphenyl)methanone

(2,3,4-trihydroxyphenyl)(3',5'-dihydroxy-4'-methoxyphenyl)methanone

B

(2,3-dihydroxy-4-methoxyphenyl)(3',5'-dihydroxy-4'-methoxyphenyl)methanone

(2,3-dihydroxy-4-methoxyphenyl)(3',5'-dihydroxy-4'-methoxyphenyl)methanone

Conditions
ConditionsYield
With lithium carbonate In N,N-dimethyl-formamide at 30℃; for 15h;A 15%
B 30%
...Expand
2,3,4,3',4',5'-hexahydroxybenzophenone
52479-85-3

2,3,4,3',4',5'-hexahydroxybenzophenone

CH3X

CH3X

(2,3,4-trihydroxyphenyl)(3',5'-dihydroxy-4'-methoxyphenyl)methanone

(2,3,4-trihydroxyphenyl)(3',5'-dihydroxy-4'-methoxyphenyl)methanone

Conditions
ConditionsYield
With lithium carbonate In N,N-dimethyl-formamide15%
2,3,4,3',4',5'-hexahydroxybenzophenone
52479-85-3

2,3,4,3',4',5'-hexahydroxybenzophenone

pivaloyl chloride
3282-30-2

pivaloyl chloride

3,4,5,4',5',6',-hexapivaloyloxybenzophenone

3,4,5,4',5',6',-hexapivaloyloxybenzophenone

Conditions
ConditionsYield
With pyridine at 50℃; for 2h;

Exifone Chemical Properties

Molecular Structure:

Molecular Formula: C13H10O7
Molecular Weight: 278.2143
IUPAC Name: (2,3,4-Trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
Synonyms of Methanone,(2,3,4-trihydroxyphenyl)(3,4,5-trihydroxyphenyl)- (CAS NO.52479-85-3): Exifone [INN] ; (2,3,4-Trihydroxyphenyl)(3,4,5-trihydroxyphenyl)methanone ; 2,3,3',4,4',5'-Hexahydroxybenzophenone ; 3-08-00-04364 (Beilstein Handbook Reference) ; 4-Galloylpyrogallol ; Adlone ; BRN 3401917 ; EINECS 257-945-9 ; Exifona ; Exifona [INN-Spanish] ; Exifone ; Exifonum ; Exifonum [INN-Latin] ; NSC 680919 ; UNII-38K9TOD4EG
CAS NO: 52479-85-3
Classification Code: Drug / Therapeutic Agent
Melting point: 245°C 
Index of Refraction: 1.795
Molar Refractivity: 67.33 cm3
Molar Volume: 158.1 cm3
Surface Tension: 114.2 dyne/cm
Density: 1.759 g/cm3
Flash Point: 375.8 °C
Enthalpy of Vaporization: 102.64 kJ/mol
Boiling Point: 674.6 °C at 760 mmHg
Vapour Pressure: 8.11E-19 mmHg at 25°C

Exifone Uses

  Methanone,(2,3,4-trihydroxyphenyl)(3,4,5-trihydroxyphenyl)- (CAS NO.52479-85-3) is used as thinking reinforcing agent. And it is used for Alzheimer's and Parkinson's disease.

Exifone Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 355mg/kg (355mg/kg)   United States Patent Document. Vol. #4015017,
rat LD50 oral 1425mg/kg (1425mg/kg)   United States Patent Document. Vol. #4015017,

Exifone Safety Profile

Risk Statements of Methanone,(2,3,4-trihydroxyphenyl)(3,4,5-trihydroxyphenyl)- (CAS NO.52479-85-3): 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
RTECS: PC4995000

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