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| CAS No.: | 13909-73-4 |
|---|---|
| Name: | 2',3',4'-TRIMETHOXYACETOPHENONE |
| Molecular Structure: | |
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|
|
| Formula: | C11H14O4 |
| Molecular Weight: | 210.23 |
| Synonyms: | Acetophenone,2',3',4'-trimethoxy- (6CI,7CI,8CI);1-(2,3,4-Trimethoxyphenyl)ethanone;Methyl 2,3,4-trimethoxyphenyl ketone;NSC68811;Tri-O-methylgallacetophenone; |
| EINECS: | 237-678-4 |
| Density: | 1.089 g/cm3 |
| Melting Point: | 14-15 °C(lit.) |
| Boiling Point: | 295.999 °C at 760 mmHg |
| Flash Point: | 133.739 °C |
| Appearance: | clear yellow liquid |
| Hazard Symbols: |
 Xi
|
| Safety: | 24/25 |
| PSA: | 44.76000 |
| LogP: | 1.91500 |
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 6267-89-6
2-acetoxyimino-3-oxo-butyric acid ethyl ester
- 634-36-6
1,2,3-trimethoxybenzene
- 13909-73-4
2',3',4'-trimethoxyacetophenone
| Conditions | Yield |
|---|---|
| With PPA Ambient temperature; | 99% |
- 634-36-6
1,2,3-trimethoxybenzene
A
- 13909-73-4
2',3',4'-trimethoxyacetophenone
B
- 38975-83-6
ethyl 3-oxo-3-(2',3',4'-trimethoxyphenyl)propanoate
| Conditions | Yield |
|---|---|
| With PPA Ambient temperature; | A 94% B 1.5% |
- 528-21-2
2',3',4'-trihydroxyacetophenone
- 77-78-1
dimethyl sulfate
- 13909-73-4
2',3',4'-trimethoxyacetophenone
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone for 24h; Heating; | 90.5% |
| Stage #1: 2',3',4'-trihydroxyacetophenone; dimethyl sulfate With potassium carbonate In acetone at 45℃; for 17h; Stage #2: With water In acetone | 85% |
| cetyltrimethylammonim bromide In sodium hydroxide; chloroform Ambient temperature; | 80% |
| With aqueous alkali |
- 1140509-00-7
(2,3,4-trimethoxyphenyl)acetylene
- 13909-73-4
2',3',4'-trimethoxyacetophenone
| Conditions | Yield |
|---|---|
| With tropylium tetrafluoroborate; water; acetic acid at 130℃; for 1h; Microwave irradiation; Inert atmosphere; | 83% |
| Conditions | Yield |
|---|---|
| With PPA Friedel Crafts acylation; | 80% |
| With In(OSO2CF3)3 at 75 - 90℃; for 0.116667h; Friedel-Crafts acetylation; Irradiation; Microwave; | 73% |
| silver hexafluoroantimonate; bis(benzonitrile)dichloroplatinum(II) In dichloromethane Friedel-Crafts acylation; Heating; | 62% |
| With perchloric acid; acetic acid | |
| With PPA at 45℃; |
| Conditions | Yield |
|---|---|
| With PPA Ambient temperature; | A 73% B 6.4% |
- 634-36-6
1,2,3-trimethoxybenzene
- 108-24-7
acetic anhydride
- 75-36-5
acetyl chloride
- 13909-73-4
2',3',4'-trimethoxyacetophenone
| Conditions | Yield |
|---|---|
| With perchloric acid; acetic acid at 50℃; | |
| With sodium perchlorate; acetic acid at 50℃; |
| Conditions | Yield |
|---|---|
| With PPA at 45℃; |
| Conditions | Yield |
|---|---|
| With aluminium trichloride | |
| With aluminium trichloride; nitrobenzene at -10℃; | |
| With carbon disulfide; aluminium trichloride | |
| With carbon disulfide; iron(III) chloride |
- 528-21-2
2',3',4'-trihydroxyacetophenone
- 77-78-1
dimethyl sulfate
A
- 5396-18-9
2'-hydroxy-3',4'-dimethoxyacetophenone
B
- 13909-73-4
2',3',4'-trimethoxyacetophenone
| Conditions | Yield |
|---|---|
| With potassium carbonate; benzene |
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Specification
The Ethanone,1-(2,3,4-trimethoxyphenyl)-, with CAS registry number 13909-73-4, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)C11 to C12; (3)Carbonyl Compounds; (4)Ketones. It has the systematic name of 1-(2,3,4-trimethoxyphenyl)ethanone. This chemical is a kind of clear yellow liquid. When use this chemical, avoid contact with skin and eyes.
Physical properties of Ethanone,1-(2,3,4-trimethoxyphenyl)-: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.519; (4)ACD/LogD (pH 7.4): 1.519; (5)ACD/BCF (pH 5.5): 8.408; (6)ACD/BCF (pH 7.4): 8.408; (7)ACD/KOC (pH 5.5): 159.778; (8)ACD/KOC (pH 7.4): 159.778; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 56.316 cm3; (15)Molar Volume: 192.971 cm3; (16)Polarizability: 22.326×10-24cm3; (17)Surface Tension: 32.988 dyne/cm; (18)Enthalpy of Vaporization: 53.575 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,2,3-trimethoxy-benzene and acetic acid anhydride. This reaction will need solvent CH2Cl2. The yield is about 62%.
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Uses of Ethanone,1-(2,3,4-trimethoxyphenyl)-: it can be used to produce 1-(2-hydroxy-3,4-dimethoxy-phenyl)-ethanone. This reaction will need reagents aniline hydriodide, aniline. The yield is about 95%.
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You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1ccc(c(c1OC)OC)OC
(2)InChI: InChI=1/C11H14O4/c1-7(12)8-5-6-9(13-2)11(15-4)10(8)14-3/h5-6H,1-4H3
(3)InChIKey: PKNAATJMQOUREZ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H14O4/c1-7(12)8-5-6-9(13-2)11(15-4)10(8)14-3/h5-6H,1-4H3
(5)Std. InChIKey: PKNAATJMQOUREZ-UHFFFAOYSA-N