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Phenol,2-amino-4-(ethylsulfonyl)-

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Name

Phenol,2-amino-4-(ethylsulfonyl)-

EINECS 256-100-1
CAS No. 43115-40-8 Density 1.355 g/cm3
PSA 88.77000 LogP 2.43000
Solubility N/A Melting Point 128-131 °C (lit.)
Formula C8H11NO3S Boiling Point 436.4 °C at 760 mmHg
Molecular Weight 201.246 Flash Point 217.7 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 43115-40-8 (2-AMINO-4-(ETHYLSULFONYL)PHENOL) Hazard Symbols IrritantXi
Synonyms

2-Amino-4-(ethylsulphonyl)phenol;2-Amino-4-(ethylsulfonyl)phenol;4-Ethylsulfonyl-2-aminophenol;

Article Data 2

Phenol,2-amino-4-(ethylsulfonyl)- Synthetic route

84996-11-2

4-(ethylsulfonyl)-2-nitro-phenol

43115-40-8

2-amino-4-(ethylsulfonyl)phenol

Conditions
ConditionsYield
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%
5120-72-9

4-chlorophenyl ethyl sulfide

43115-40-8

2-amino-4-(ethylsulfonyl)phenol

Conditions
ConditionsYield
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
7205-80-3

1-(ethylsulfonyl)-4-chlorobenzene

43115-40-8

2-amino-4-(ethylsulfonyl)phenol

Conditions
ConditionsYield
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
98-68-0

4-methoxy-phenyl-sulphonyl chloride

43115-40-8

2-amino-4-(ethylsulfonyl)phenol

Conditions
ConditionsYield
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
6462-50-6

sodium 4-methoxybenzenesulfinate

43115-40-8

2-amino-4-(ethylsulfonyl)phenol

Conditions
ConditionsYield
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
7205-79-0

1-(ethylsulfonyl)-4-methoxybenzene

43115-40-8

2-amino-4-(ethylsulfonyl)phenol

Conditions
ConditionsYield
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
51572-44-2

4-(ethylsulfonyl)-1-methoxy-2-nitrobenzene

43115-40-8

2-amino-4-(ethylsulfonyl)phenol

Conditions
ConditionsYield
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
444-30-4

2-(trifluoromethyl)phenol

43115-40-8

2-amino-4-(ethylsulfonyl)phenol

1193007-08-7

2-(5-(ethylsulfonyl)benzo[d]oxazol-2-yl)phenol

Conditions
ConditionsYield
With sodium hydroxide In water at 80℃; for 2h;94%
56540-70-6

benzofuran-5-carbonyl chloride

43115-40-8

2-amino-4-(ethylsulfonyl)phenol

2-(benzofuran-5-yl)-5-(ethylsulfonyl)benzo[d]oxazole

Conditions
ConditionsYield
In 1,4-dioxane at 210℃; for 0.25h; Microwave irradiation;85%
43115-40-8

2-amino-4-(ethylsulfonyl)phenol

2243-83-6

2-naphthaloyl chloride

945531-77-1

dibenzoate5-(ethylsulfone)-2-(naphthalen-2-yl)benzo[d]oxazole

Conditions
ConditionsYield
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%

Phenol,2-amino-4-(ethylsulfonyl)- Specification

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

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