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Cas Database |
| Name |
N-(3-Acetyl-4-hydroxyphenyl)acetamide |
EINECS | 230-735-4 |
| CAS No. | 7298-67-1 | Density | 1.267g/cm3 |
| PSA | 66.40000 | LogP | 1.62620 |
| Solubility | N/A | Melting Point |
167-168 °C |
| Formula | C10H11NO3 | Boiling Point | 414.4°C at 760 mmHg |
| Molecular Weight | 193.202 | Flash Point | 204.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | R22; R36/37/38 | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
N-(3-Acetyl-4-hydroxyphenyl)acetamide;N1-(3-Acetyl-4-hydroxyphenyl)acetamide; |
Article Data | 42 |
N-(3-Acetyl-4-hydroxyphenyl)acetamide Synthetic route
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride In carbon disulfide for 1.5h; Friedel Crafts acylation; | 90% |
| With aluminum (III) chloride In carbon disulfide at 80 - 90℃; for 1.5h; | 90% |
| With aluminium trichloride In dichloromethane for 4.5h; Heating; | 88% |
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride In nitrobenzene at 130℃; for 3.5h; | 81.5% |
| With aluminium trichloride In nitrobenzene at 20 - 130℃; for 3h; | 62% |
| With aluminium trichloride Yield given; |
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride; sodium chloride at 20 - 130℃; for 5h; Fries Phenol Ester Rearrangement; | 89% |
| With zinc(II) chloride at 180℃; for 2h; | 75% |
| With ytterbium trifluoromethanesulfonate; lithium perchlorate In nitromethane at 100℃; for 8h; Fries rearrangement; | 65% |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hydrogen / 5percent Pd/C / tetrahydrofuran / 2 h / 2068.6 Torr 2: tetrahydrofuran / 0.33 h / 60 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 33 percent / nitric acid, glacial acetic acid / 1.) RT, 40 min, 2.) from 45 to 50 deg C, 16 h 2: hydrogen / 5percent Pd/C / tetrahydrofuran / 2 h / 2068.6 Torr 3: tetrahydrofuran / 0.33 h / 60 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium acetate; acetic acid 2: aluminum (III) chloride / carbon disulfide / 1.5 h View Scheme | |
| Multi-step reaction with 2 steps 1: dichloromethane / 2 h / 20 °C 2: aluminum (III) chloride / dichloromethane / 4.5 h / Reflux View Scheme | |
| Multi-step reaction with 3 steps 1: sodium acetate / acetic acid / 0.5 h / 0 °C 2: aluminum (III) chloride / carbon disulfide / 1.5 h / 80 - 90 °C 3: sodium hydroxide; water View Scheme |
- 7298-67-1
5-acetamido-2-hydroxyacetophenone
| Conditions | Yield |
|---|---|
| With Phenylselenyl bromide In 1,4-dioxane at 100℃; for 10h; | 45% |
- 51410-09-4
acetic acid-(3-acetyl-4-methoxy-anilide)
- 7298-67-1
5-acetamido-2-hydroxyacetophenone
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 90 percent / CH2Cl2 2: 87 percent / AlCl3 / CH2Cl2 View Scheme |
- 50-80-6
5-amino-2-hydroxyacetophenone
- 108-24-7
acetic anhydride
- 7298-67-1
5-acetamido-2-hydroxyacetophenone
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 60℃; for 0.333333h; Yield given; |
N-(3-Acetyl-4-hydroxyphenyl)acetamide Specification
This chemical is called N-(3-Acetyl-4-hydroxyphenyl)acetamide. With the molecular formula of C10H11NO3, its molecular weight is 193.20. The CAS registry number of this chemical is 7298-67-1. Additionally, its product categories are Phenyls & Phenyl-Het; Phenyls & Phenyl-Het.
Other characteristics of the N-(3-Acetyl-4-hydroxyphenyl)acetamide can be summarised as followings: (1)XLogP3-AA: 1; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 2; (5)Tautomer Count: 14; (6)Exact Mass: 193.073893; (7)MonoIsotopic Mass: 193.073893; (8)Topological Polar Surface Area: 66.4; (9)Heavy Atom Count: 14; (10)Formal Charge: 0; (11)Complexity: 240; (12)Covalently-Bonded Unit Count: 1; (13)Feature 3D Acceptor Count: 2; (14)Feature 3D Donor Count: 2; (15)Feature 3D Ring Count: 1.
Production method of this chemical: The N-(3-Acetyl-4-hydroxyphenyl)acetamide could be obtained by the reactant of 1-acetoxy-4-acetylamino-benzene. This reaction needs the reagent of AlCl3.
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Uses of this chemical: The 1-(5-amino-2-hydroxy-phenyl)-ethanone could be obtained by the reactant of N-(3-Acetyl-4-hydroxyphenyl)acetamide. This reaction needs the reagent of 15percent HCl. The yield is 86 %.
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You can still convert the following datas into molecular structure:
1.Canonical SMILES: CC(=O)C1=C(C=CC(=C1)NC(=O)C)O
2.InChI: InChI=1S/C10H11NO3/c1-6(12)9-5-8(11-7(2)13)3-4-10(9)14/h3-5,14H,1-2H3,(H,11,13)
3.InChIKey: DIQSYMRVTOVKQT-UHFFFAOYSA-N
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