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CAS No.: | 43115-40-8 |
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Name: | 2-AMINO-4-(ETHYLSULFONYL)PHENOL |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H11NO3S |
Molecular Weight: | 201.246 |
Synonyms: | 2-Amino-4-(ethylsulphonyl)phenol;2-Amino-4-(ethylsulfonyl)phenol;4-Ethylsulfonyl-2-aminophenol; |
EINECS: | 256-100-1 |
Density: | 1.355 g/cm3 |
Melting Point: | 128-131 °C (lit.) |
Boiling Point: | 436.4 °C at 760 mmHg |
Flash Point: | 217.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 88.77000 |
LogP: | 2.43000 |
4-(ethylsulfonyl)-2-nitro-phenol
2-amino-4-(ethylsulfonyl)phenol
Conditions | Yield |
---|---|
With 5%-palladium/activated carbon; hydrogen In ethanol at 60 - 70℃; under 15001.5 Torr; Temperature; Solvent; Autoclave; | 86% |
With palladium 10% on activated carbon; hydrogen In isopropyl alcohol at 50℃; under 2280.15 Torr; for 24h; | 73% |
4-chlorophenyl ethyl sulfide
2-amino-4-(ethylsulfonyl)phenol
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: dihydrogen peroxide; sodium tungstate (VI) dihydrate / ethyl acetate / 5 h / 30 - 55 °C / Large scale 2: nitric acid; sulfuric acid / 2 h / 0 - 20 °C / Large scale 3: sodium hydroxide / 3 h / 95 °C / Autoclave 4: hydrogen; palladium 10% on activated carbon / isopropyl alcohol / 24 h / 50 °C / 2280.15 Torr View Scheme |
1-(ethylsulfonyl)-4-chlorobenzene
2-amino-4-(ethylsulfonyl)phenol
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: nitric acid; sulfuric acid / 2 h / 0 - 20 °C / Large scale 2: sodium hydroxide / 3 h / 95 °C / Autoclave 3: hydrogen; palladium 10% on activated carbon / isopropyl alcohol / 24 h / 50 °C / 2280.15 Torr View Scheme |
4-methoxy-phenyl-sulphonyl chloride
2-amino-4-(ethylsulfonyl)phenol
Conditions | Yield |
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Multi-step reaction with 5 steps 1: sodium sulfite / water; tetrahydrofuran / 20 h / -5 - 0 °C 2: ethanol / 2 h / 80 °C 3: nitric acid / 70 °C 4: hydrogen bromide; formic acid / 30 h / 90 °C 5: hydrogen; 5%-palladium/activated carbon / ethanol / 60 - 70 °C / 15001.5 Torr / Autoclave View Scheme | |
Multi-step reaction with 5 steps 1: sodium sulfite / water; tetrahydrofuran / 20 h / -5 - 0 °C 2: methanol / 2 h / 65 °C 3: nitric acid / 70 °C 4: hydrogen bromide; formic acid / 30 h / 90 °C 5: hydrogen; 5%-palladium/activated carbon / ethanol / 60 - 70 °C / 15001.5 Torr / Autoclave View Scheme |
sodium 4-methoxybenzenesulfinate
2-amino-4-(ethylsulfonyl)phenol
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: ethanol / 2 h / 80 °C 2: nitric acid / 70 °C 3: hydrogen bromide; formic acid / 30 h / 90 °C 4: hydrogen; 5%-palladium/activated carbon / ethanol / 60 - 70 °C / 15001.5 Torr / Autoclave View Scheme | |
Multi-step reaction with 4 steps 1: methanol / 2 h / 65 °C 2: nitric acid / 70 °C 3: hydrogen bromide; formic acid / 30 h / 90 °C 4: hydrogen; 5%-palladium/activated carbon / ethanol / 60 - 70 °C / 15001.5 Torr / Autoclave View Scheme |
1-(ethylsulfonyl)-4-methoxybenzene
2-amino-4-(ethylsulfonyl)phenol
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: nitric acid / 70 °C 2: hydrogen bromide; formic acid / 30 h / 90 °C 3: hydrogen; 5%-palladium/activated carbon / ethanol / 60 - 70 °C / 15001.5 Torr / Autoclave View Scheme |
4-(ethylsulfonyl)-1-methoxy-2-nitrobenzene
2-amino-4-(ethylsulfonyl)phenol
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogen bromide; formic acid / 30 h / 90 °C 2: hydrogen; 5%-palladium/activated carbon / ethanol / 60 - 70 °C / 15001.5 Torr / Autoclave View Scheme |
2-(trifluoromethyl)phenol
2-amino-4-(ethylsulfonyl)phenol
2-(5-(ethylsulfonyl)benzo[d]oxazol-2-yl)phenol
Conditions | Yield |
---|---|
With sodium hydroxide In water at 80℃; for 2h; | 94% |
benzofuran-5-carbonyl chloride
2-amino-4-(ethylsulfonyl)phenol
Conditions | Yield |
---|---|
In 1,4-dioxane at 210℃; for 0.25h; Microwave irradiation; | 85% |
2-amino-4-(ethylsulfonyl)phenol
2-naphthaloyl chloride
dibenzoate5-(ethylsulfone)-2-(naphthalen-2-yl)benzo[d]oxazole
Conditions | Yield |
---|---|
Stage #1: 2-amino-4-(ethylsulfonyl)phenol; 2-naphthaloyl chloride With sodium hydroxide In water; xylenes at 100 - 155℃; for 2.66667h; Heating / reflux; Stage #2: With methanesulfonic acid In water; xylenes for 0.75h; Heating / reflux; | 80% |
Stage #1: 2-amino-4-(ethylsulfonyl)phenol; 2-naphthaloyl chloride With sodium hydroxide In water; xylenes at 0 - 155℃; for 2.66667h; Stage #2: With methanesulfonic acid In water; xylenes for 0.75h; Heating / reflux; | 80% |
In 1,4-dioxane at 210℃; for 0.25h; Microwave irradiation; | 75% |
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The Phenol, 2-amino-4-(ethylsulfonyl)-, with the CAS registry number of 43115-40-8, is also known as 2-Amino-4-(ethylsulfonyl)phenol. It belongs to the product categories of Organic Building Blocks; Sulfones; Sulfur Compounds. Its EINECS registry number is 256-100-1. This chemical's molecular formula is C8H11NO3S and molecular weight is 201.24. What's more, its IUPAC name is 2-Amino-4-ethylsulfonylphenol. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about Phenol, 2-amino-4-(ethylsulfonyl)- are: (1)ACD/LogP: -0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.53; (4)ACD/LogD (pH 7.4): -0.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.09; (8)ACD/KOC (pH 7.4): 5.57; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 54.99 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 49.97 cm3; (15)Molar Volume: 148.4 cm3; (16)Surface Tension: 56.2 dyne/cm; (17)Density: 1.355 g/cm3; (18)Flash Point: 217.7 °C; (19)Enthalpy of Vaporization: 71.96 kJ/mol; (20)Boiling Point: 436.4 °C at 760 mmHg; (21)Vapour Pressure: 3.17E-08 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce 6-Ethanesulfonyl-2-vinyl-3, 4-dihydro-2H-benzo[1, 4]oxazine by heating. This reaction needs reagents PPh3, Ti(OiPr)4, Molecular sieve. Meanwhile, it needs solvent Benzene and catalyst Pd(acac)2. The reaction time is 6 hours. The yield is about 37 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(O)c(N)c1)CC
(2) InChI: InChI=1/C8H11NO3S/c1-2-13(11,12)6-3-4-8(10)7(9)5-6/h3-5,10H,2,9H2,1H3
(3) InChIKey: UPJVUFCLBYQKFH-UHFFFAOYAT