CAS No.520-32-1,Tricin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	520-32-1
Name:	Tricin
Article Data:	13

Formula:	C₁₇H₁₄O₇
Molecular Weight:	330.294
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;
Density:	1.483g/cm³
Melting Point:	289～291℃
Boiling Point:	598.5°C at 760mmHg
Flash Point:	224°C
PSA:	109.36000
LogP:	2.59400

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

Conditions	Yield
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%

...Expand

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With sulfuric acid Heating;	A 178 mg B 132 mg

...Expand

: 6318-20-3
O-acetylsyringic acid

: 520-32-1
5,7,4'trihydroxy-3',5'-dimethoxyflavone

Conditions

Conditions	Yield
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

Conditions	Yield
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

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

Total:72 Page 1 of 2 1 2 Next>>

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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