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Tricin
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Name

Tricin

 EINECS N/A
CAS No. 520-32-1 Density 1.483g/cm3
PSA 109.36000 LogP 2.59400
Solubility N/A Melting Point 289～291℃
Formula C17H14O7 Boiling Point 598.5°C at 760mmHg
Molecular Weight 330.294 Flash Point 224°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 520-32-1 (Tricin) Hazard Symbols N/A
Synonyms

Flavone,4',5,7-trihydroxy-3',5'-dimethoxy- (7CI,8CI);Tricin (6CI);4',5,7-Trihydroxy-3',5'-dimethoxyflavone;5,7,4'-Trihydroxy-3',5'-dimethoxyflavone;NSC 294579;

Article Data 13

Tricin Synthetic route

108-73-6

3,5-dihydroxyphenol

105-56-6

ethyl 2-cyanoacetate

134-96-3

syringic aldehyde

520-32-1

5,7,4'trihydroxy-3',5'-dimethoxyflavone

Conditions
ConditionsYield
Stage #1: 3,5-dihydroxyphenol; ethyl 2-cyanoacetate With zinc(II) chloride In ethyl acetate for 0.5h; Sealed tube;
Stage #2: With hydrogenchloride In water; ethyl acetate at 60℃; for 12h; Sealed tube;
Stage #3: syringic aldehyde Temperature; Further stages;		95%

1-[4-(tert-Butyl-dimethyl-silanyloxy)-3,5-dimethoxy-phenyl]-3-(2,4,6-trihydroxy-phenyl)-propane-1,3-dione

520-32-1

5,7,4'trihydroxy-3',5'-dimethoxyflavone

Conditions
ConditionsYield
With sulfuric acid In acetic acid at 95 - 100℃; for 1h;82%

4,6-bis(methoxymethyl)-2-(4-acetoxy-3,5-dimethoxybenzoyloxy)acetophenone

520-32-1

5,7,4'trihydroxy-3',5'-dimethoxyflavone

Conditions
ConditionsYield
Stage #1: 4,6-bis(methoxymethyl)-2-(4-acetoxy-3,5-dimethoxybenzoyloxy)acetophenone With potassium hydroxide In pyridine at 50℃; for 0.333333h;
Stage #2: With acetic acid In pyridine; water for 0.5h;
Stage #3: With hydrogenchloride In methanol Reflux;		65%
18103-42-9

5,7-dihydroxy-3',4',5'-trimethoxyflavone

520-32-1

5,7,4'trihydroxy-3',5'-dimethoxyflavone

Conditions
ConditionsYield
With sulfuric acid
30778-02-0

2-(4-benzyloxy-3,5-dimethoxy-phenyl)-5,7-dihydroxy-chromen-4-one

520-32-1

5,7,4'trihydroxy-3',5'-dimethoxyflavone

Conditions
ConditionsYield
With hydrogenchloride; acetic acid
32769-00-9

7,4'-dihydroxy-3',5'-dimethoxy-5-O-β-D-glucopyranosylflavone

A

50-99-7

D-glucose

B

520-32-1

5,7,4'trihydroxy-3',5'-dimethoxyflavone

Conditions
ConditionsYield
With hydrogenchloride at 80℃; for 2.5h; Hydrolysis;
64-19-7

acetic acid

4-hydroxy-3,5-dimethoxy-benzoic acid 2-acetyl-3,5-dihydroxy-phenyl ester

A

520-32-1

5,7,4'trihydroxy-3',5'-dimethoxyflavone

B

3-acetyl-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-chromen-4-one

Conditions
ConditionsYield
With sulfuric acid Heating;A 178 mg
B 132 mg
6318-20-3

O-acetylsyringic acid

520-32-1

5,7,4'trihydroxy-3',5'-dimethoxyflavone

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: oxalyl chloride / 3 h / Heating
2: pyridine / benzene / 18 h / 25 °C
3: NaH / dimethylsulfoxide / 1.5 h / 60 °C
4: 178 mg / H2SO4 / Heating
View Scheme
39657-47-1

O-acetylsyringic acid chloride

520-32-1

5,7,4'trihydroxy-3',5'-dimethoxyflavone

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: pyridine / benzene / 18 h / 25 °C
2: NaH / dimethylsulfoxide / 1.5 h / 60 °C
3: 178 mg / H2SO4 / Heating
View Scheme

4-acetoxy-3,5-dimethoxy-benzoic acid 2-acetyl-3,5-dihydroxy-phenyl ester

520-32-1

5,7,4'trihydroxy-3',5'-dimethoxyflavone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: NaH / dimethylsulfoxide / 1.5 h / 60 °C
2: 178 mg / H2SO4 / Heating
View Scheme

Tricin Specification

The Tricin, with CAS registry number of 520-32-1, belongs to the following product categories: (1)Penta-substituted Flavones; (2)API intermediates. Its systematic name and its IUPAC name are the same, which is 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromen-4-one.

Physical properties about this chemical are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.343; (4)ACD/LogD (pH 7.4): 1.162; (5)ACD/BCF (pH 5.5): 34.327; (6)ACD/BCF (pH 7.4): 2.259; (7)ACD/KOC (pH 5.5): 419.437; (8)ACD/KOC (pH 7.4): 27.602; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 105.45 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 83.209 cm3; (15)Molar Volume: 222.567 cm3; (16)Polarizability: 32.987×10-24cm3; (17)Surface Tension: 67.793 dyne/cm; (18)Enthalpy of Vaporization: 92.414 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: COc1cc(cc(c1O)OC)c2cc(=O)c3c(cc(cc3o2)O)O
(2)InChI: InChI=1/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3
(3)InChIKey: HRGUSFBJBOKSML-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3
(5)Std. InChIKey: HRGUSFBJBOKSML-UHFFFAOYSA-N

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