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98-17-9 Usage

Uses

Different sources of media describe the Uses of 98-17-9 differently. You can refer to the following data:
1. 5-Trifluoromethylphenol, is a versatile buidiling block used for the synthesis of various chemical compounds, including pesticides. It can be utilized for the preparation of potassium methyl 1-(substituted phenoxyacetoxy)alkylphosphonatehaving herbicidal activities.
2. 3-(Trifluoromethyl)phenol (3-Hydroxybenzotrifluoride) was used in the preparation of travoprost (antiglaucoma agent).

Check Digit Verification of cas no

The CAS Registry Mumber 98-17-9 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 9 and 8 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 98-17:
(4*9)+(3*8)+(2*1)+(1*7)=69
69 % 10 = 9
So 98-17-9 is a valid CAS Registry Number.
InChI:InChI=1/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H

98-17-9 Well-known Company Product Price

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  • Alfa Aesar

  • (A12784)  3-(Trifluoromethyl)phenol, 98+%   

  • 98-17-9

  • 5g

  • 130.0CNY

  • Detail
  • Alfa Aesar

  • (A12784)  3-(Trifluoromethyl)phenol, 98+%   

  • 98-17-9

  • 25g

  • 311.0CNY

  • Detail
  • Alfa Aesar

  • (A12784)  3-(Trifluoromethyl)phenol, 98+%   

  • 98-17-9

  • 100g

  • 982.0CNY

  • Detail

98-17-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Trifluoromethylphenol

1.2 Other means of identification

Product number -
Other names 3-trifluoromethyl-phenol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:98-17-9 SDS

98-17-9Synthetic route

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
Stage #1: 3-trifluoromethylaniline With sulfuric acid; sodium nitrite at 5 - 20℃; for 1h;
Stage #2: With water Reflux;
94%
With sulfuric acid; sodium nitrite at 12.5 - 88℃; Temperature; Reagent/catalyst;93.6%
Stage #1: 3-trifluoromethylaniline With sulfuric acid at 83℃; for 1h;
Stage #2: With sodium nitrite In water at -3℃; for 1h;
Stage #3: With sulfuric acid; copper(II) sulfate In water at 125℃; Temperature;
92%
m-trifluoromethylphenyl iodide
401-81-0

m-trifluoromethylphenyl iodide

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With tetra(n-butyl)ammonium hydroxide In water; dimethyl sulfoxide at 165℃; for 0.0833333h; Flow reactor;90%
With copper acetylacetonate; N1-(4-hydroxy-2,6-dimethylphenyl)-N2-(4-hydroxy-3,5-dimethylphenyl)oxalamide; potassium hydroxide In water; dimethyl sulfoxide at 60℃; for 24h; Schlenk technique; Inert atmosphere;90%
With copper(l) iodide; 8-quinolinol; potassium hydroxide In water; dimethyl sulfoxide; tert-butyl alcohol at 100℃; for 48h; Inert atmosphere;88%
(meta-(trifluoromethyl)phenyl)boronic acid
1423-26-3

(meta-(trifluoromethyl)phenyl)boronic acid

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With copper(II) ferrite; water; sodium hydroxide at 40℃; for 24h; Green chemistry;96%
With oxygen; triethylamine In 2-methyltetrahydrofuran at 20℃; under 760.051 Torr; for 24h; Green chemistry;96%
With dihydrogen peroxide In water at 20℃; for 0.166667h; Green chemistry;92%
1-but-3-enoxy-3-(trifluoromethyl)benzene

1-but-3-enoxy-3-(trifluoromethyl)benzene

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With [2,2]bipyridinyl; (1,2-dimethoxyethane)dichloronickel(II); water; bis(pinacol)diborane; lithium tert-butoxide In methanol; N,N-dimethyl acetamide at 30℃; for 24h; Schlenk technique;67%
With 6,6'-dimethyl-2,2'-bipyridine; (1,2-dimethoxyethane)dichloronickel(II); bis(pinacol)diborane; lithium tert-butoxide In methanol; N,N-dimethyl acetamide; water at 30℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;67%
C12H13F3O

C12H13F3O

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With [2,2]bipyridinyl; (1,2-dimethoxyethane)dichloronickel(II); water; bis(pinacol)diborane; lithium tert-butoxide In methanol; N,N-dimethyl acetamide at 30℃; for 24h; Schlenk technique;63%
With 6,6'-dimethyl-2,2'-bipyridine; (1,2-dimethoxyethane)dichloronickel(II); bis(pinacol)diborane; lithium tert-butoxide In methanol; N,N-dimethyl acetamide; water at 30℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;63%
1-(benzyloxy)-3-(trifluoromethyl)benzene
70097-64-2

1-(benzyloxy)-3-(trifluoromethyl)benzene

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With 1-n-butyl-3-methylimidazolim bromide at 200 - 220℃; for 0.0833333h; Microwave irradiation; Inert atmosphere;98%
3-hydroxyphenylboronic acid
87199-18-6

3-hydroxyphenylboronic acid

Umemoto's reagent
129946-88-9

Umemoto's reagent

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With 2,4,6-trimethyl-pyridine; copper diacetate In N,N-dimethyl acetamide at 0℃; under 760.051 Torr; for 16h; Inert atmosphere;60%
meta-trifluoromethylphenyl N,N-diethylcarbamate
1245824-29-6

meta-trifluoromethylphenyl N,N-diethylcarbamate

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With zirconocene dichloride In tetrahydrofuran at 20℃; Inert atmosphere;91%
3-chlorotrifluoromethylbenzene
98-15-7

3-chlorotrifluoromethylbenzene

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With copper acetylacetonate; N1-(4-hydroxy-2,6-dimethylphenyl)-N2-(4-hydroxy-3,5-dimethylphenyl)oxalamide; water In water; dimethyl sulfoxide at 130℃; for 24h; Schlenk technique; Inert atmosphere;93%
With 5-(di-tert-butylphosphino)-1′, 3′, 5′-triphenyl-1′H-[1,4′]bipyrazole; tris-(dibenzylideneacetone)dipalladium(0); cesiumhydroxide monohydrate In tetrahydrofuran at 65℃; Inert atmosphere; Glovebox; Sealed tube;86%
Multi-step reaction with 2 steps
1: 2-methyl-8-hydroxyquinoline copper; sodium hydroxide / methanol / 5 h / 100 - 105 °C / 6000.6 - 7500.75 Torr / Autoclave
2: methanol / 35 - 40 °C / Autoclave
View Scheme
3-trifluoromethyl-2-cyclohexene-1-one
74031-45-1

3-trifluoromethyl-2-cyclohexene-1-one

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With tetrakis(acetonitrile)palladium(II) bis(tetrafluoroborate); 6,6'-dimethyl-2,2'-bipyridine; sodium anthraquinone-2-sulfonate; oxygen In water; dimethyl sulfoxide at 80℃; under 760.051 Torr; for 12h;68%
4-chloro-3-trifluoromethylphenol
6294-93-5

4-chloro-3-trifluoromethylphenol

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With hydrogen In ethanol
With hydrogen In ethanol
(3-trifluoromethylphenyl)(phenyl)iodonium triflate

(3-trifluoromethylphenyl)(phenyl)iodonium triflate

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With dihydrogen peroxide; sodium iodide; sodium hydroxide In methanol at 20℃; for 1h; Microwave irradiation;47%
3-bromo-1-trifluoromethylbenzene
401-78-5

3-bromo-1-trifluoromethylbenzene

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With copper acetylacetonate; N1-(4-hydroxy-2,6-dimethylphenyl)-N2-(4-hydroxy-3,5-dimethylphenyl)oxalamide; water In water; dimethyl sulfoxide at 80℃; for 24h; Schlenk technique; Inert atmosphere;84%
Multi-step reaction with 2 steps
1: 2-methyl-8-hydroxyquinoline copper; sodium hydroxide / methanol / 2 h / 100 - 105 °C / 6000.6 - 7500.75 Torr / Autoclave
2: methanol / 35 - 40 °C / Autoclave
View Scheme
[3-(trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium trifluoromethanesulfonate
1204518-08-0

[3-(trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium trifluoromethanesulfonate

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With water; sodium acetate; copper(l) chloride In N,N-dimethyl-formamide at 40℃; for 2h; Inert atmosphere; Sealed tube;75%
cis-1,2-dihydroxy-3-trifluoromethyl-cyclohexa-3,5-diene
131101-28-5

cis-1,2-dihydroxy-3-trifluoromethyl-cyclohexa-3,5-diene

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With sodium hydroxide In water at 25℃; Kinetics; Concentration;100%
sodium 3-(trifluoromethyl)phenolate

sodium 3-(trifluoromethyl)phenolate

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
In methanol at 35 - 40℃; Autoclave;156.8 g
Conditions
ConditionsYield
With water at 30℃; for 168h; Sealed tube; Irradiation;
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

A

4-hydroxybenzotrifluoride
402-45-9

4-hydroxybenzotrifluoride

B

2-(trifluoromethyl)phenol
444-30-4

2-(trifluoromethyl)phenol

C

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With tert.-butylnitrite; water; oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone In neat (no solvent) at 24.84℃; Inert atmosphere; Irradiation; Overall yield = 8 %;
With oxygen; ascorbic acid In water; acetic acid at 105℃; under 11251.1 Torr; for 11h; Overall yield = 14 %;
Stage #1: α,α,α-trifluorotoluene With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; 2-(t-butylazo)prop-2-yl hydroperoxide In benzene at 44.84℃;
Stage #2: With N,O-Bis(trimethylsilyl)trifluoroacetamide at 75℃; for 2h; Temperature; Solvent; Inert atmosphere; regioselective reaction;
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With bis(benzonitrile)palladium(II) dichloride In benzene for 20h; Heating;93%
3-(trifluoromethyl)anisole
454-90-0

3-(trifluoromethyl)anisole

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With 1-n-butyl-3-methylimidazolim bromide at 220℃; for 1h; Inert atmosphere; Microwave irradiation;94%
3-trifluoromethyl-1-(diethoxymethylsilyl)benzene
1763-87-7

3-trifluoromethyl-1-(diethoxymethylsilyl)benzene

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With potassium fluoride; dihydrogen peroxide In ethanol for 18h; Heating;60%
C7H4F3N2O(1+)*BF4(1-)

C7H4F3N2O(1+)*BF4(1-)

A

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

B

4-fluoro-3-(trifluoromethyl)phenol
61721-07-1

4-fluoro-3-(trifluoromethyl)phenol

Conditions
ConditionsYield
With pyridine; hydrogen fluoride for 3.33333h; Decomposition; Fluoro-dediazoniation; Irradiation;A 0.1%
B 83.8%
With pyridine; hydrogen fluoride at 140℃; Decomposition; Fluoro-dediazoniation;A 1.1%
B 2.5%
4-trifluoromethylphenylamine
455-14-1

4-trifluoromethylphenylamine

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: dichloromethane; water / 1 h / 25 °C
2.1: sulfuric acid; nitric acid / 2 h / 28 °C
3.1: sulfuric acid / 5 h / 80 °C
4.1: sulfuric acid; acetic acid / water / 2 h / 35 °C
4.2: 3 h / -3 °C
5.1: hydrogen; palladium on activated charcoal / methanol / 4 h / 30 °C / 3750.38 - 13501.4 Torr / Autoclave
6.1: sulfuric acid / 1 h / 83 °C
6.2: 1 h / -3 °C
6.3: 125 °C
View Scheme
4-(trifluromethyl)acetanilide
349-97-3

4-(trifluromethyl)acetanilide

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: sulfuric acid; nitric acid / 2 h / 28 °C
2.1: sulfuric acid / 5 h / 80 °C
3.1: sulfuric acid; acetic acid / water / 2 h / 35 °C
3.2: 3 h / -3 °C
4.1: hydrogen; palladium on activated charcoal / methanol / 4 h / 30 °C / 3750.38 - 13501.4 Torr / Autoclave
5.1: sulfuric acid / 1 h / 83 °C
5.2: 1 h / -3 °C
5.3: 125 °C
View Scheme
N-(2-nitro-4-(trifluoromethyl)phenyl)acetamide
396-12-3

N-(2-nitro-4-(trifluoromethyl)phenyl)acetamide

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: sulfuric acid / 5 h / 80 °C
2.1: sulfuric acid; acetic acid / water / 2 h / 35 °C
2.2: 3 h / -3 °C
3.1: hydrogen; palladium on activated charcoal / methanol / 4 h / 30 °C / 3750.38 - 13501.4 Torr / Autoclave
4.1: sulfuric acid / 1 h / 83 °C
4.2: 1 h / -3 °C
4.3: 125 °C
View Scheme
4-trifluoromethyl-2-nitroaniline
400-98-6

4-trifluoromethyl-2-nitroaniline

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sulfuric acid; acetic acid / water / 2 h / 35 °C
1.2: 3 h / -3 °C
2.1: hydrogen; palladium on activated charcoal / methanol / 4 h / 30 °C / 3750.38 - 13501.4 Torr / Autoclave
3.1: sulfuric acid / 1 h / 83 °C
3.2: 1 h / -3 °C
3.3: 125 °C
View Scheme
N-Trifluoromethyl-N-nitrosobenzenesulfonamide
80783-62-6

N-Trifluoromethyl-N-nitrosobenzenesulfonamide

phenol
108-95-2

phenol

A

4-hydroxybenzotrifluoride
402-45-9

4-hydroxybenzotrifluoride

B

2-(trifluoromethyl)phenol
444-30-4

2-(trifluoromethyl)phenol

C

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With dimethylglyoxal In acetonitrile for 5h; Irradiation; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
3-(trifluoromethyl)phenyl 4-methylbenzenesulfonate
131086-40-3

3-(trifluoromethyl)phenyl 4-methylbenzenesulfonate

acetone
67-64-1

acetone

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; N-[2-(di(1-adamantyl)phosphino)phenyl]morpholine; caesium carbonate at 90℃; for 16h; Inert atmosphere; sealed vial;
(4-Nitro-phenyl)-acetic acid 3-trifluoromethyl-phenyl ester
75993-61-2

(4-Nitro-phenyl)-acetic acid 3-trifluoromethyl-phenyl ester

A

4-nitrobenzeneacetic acid
104-03-0

4-nitrobenzeneacetic acid

B

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With barium dihydroxide In water; dimethyl sulfoxide at 30℃; Rate constant; Mechanism;
diazotized 3-amino-trifluoromethyl-benzene

diazotized 3-amino-trifluoromethyl-benzene

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

Conditions
ConditionsYield
With sulfuric acid
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

methyl iodide
74-88-4

methyl iodide

3-(trifluoromethyl)anisole
454-90-0

3-(trifluoromethyl)anisole

Conditions
ConditionsYield
With potassium carbonate In acetone at 0 - 20℃; for 18h;100%
With potassium carbonate In acetone at 0 - 20℃; for 18h; Inert atmosphere;100%
With sodium hydride In tetrahydrofuran for 12h;80%
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

p-toluenesulfonyl chloride
98-59-9

p-toluenesulfonyl chloride

3-(trifluoromethyl)phenyl 4-methylbenzenesulfonate
131086-40-3

3-(trifluoromethyl)phenyl 4-methylbenzenesulfonate

Conditions
ConditionsYield
With potassium carbonate In tetrahydrofuran; water at 0 - 20℃; for 2h; Green chemistry;100%
Stage #1: 3-Trifluoromethylphenol With potassium hydroxide In tetrahydrofuran at 20℃; for 0.0833333h; Inert atmosphere;
Stage #2: p-toluenesulfonyl chloride In tetrahydrofuran at 60℃; Inert atmosphere;
96%
Stage #1: 3-Trifluoromethylphenol With potassium hydroxide In tetrahydrofuran at 20℃; for 0.0833333h; Inert atmosphere;
Stage #2: p-toluenesulfonyl chloride In tetrahydrofuran at 20 - 60℃; Inert atmosphere;
96%
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

potassium 3-(trifluoromethyl)phenolate
56705-78-3

potassium 3-(trifluoromethyl)phenolate

Conditions
ConditionsYield
With potassium tert-butylate for 0.5h; Inert atmosphere;100%
With potassium tert-butylate for 0.5h;
With potassium tert-butylate for 0.00833333h; Schlenk technique; Inert atmosphere;
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

1-(5-chlorobenzoxazol-2-yl)-1-(3-(trifluoromethyl)phenoxy)butane

1-(5-chlorobenzoxazol-2-yl)-1-(3-(trifluoromethyl)phenoxy)butane

Conditions
ConditionsYield
With potassium carbonate In acetonitrile for 1h; Heating / reflux;100%
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

propargyl bromide
106-96-7

propargyl bromide

1-(prop-2-yn-1-yloxy)-3-(trifluoromethyl)benzene
17061-88-0

1-(prop-2-yn-1-yloxy)-3-(trifluoromethyl)benzene

Conditions
ConditionsYield
With potassium carbonate In acetone; toluene for 24h; Williamson Ether Synthesis; Reflux;100%
With potassium carbonate In acetone for 24h; Inert atmosphere; Reflux;96.4%
With caesium carbonate In acetonitrile85%
3-Trifluoromethylphenol

3-Trifluoromethylphenol

N,N-Dimethylcarbamoyl chloride
79-44-7

N,N-Dimethylcarbamoyl chloride

3-(trifluoromethyl)phenyl dimethylcarbamate
722-08-7

3-(trifluoromethyl)phenyl dimethylcarbamate

Conditions
ConditionsYield
Stage #1: 3-Trifluoromethylphenol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; Inert atmosphere;
Stage #2: N,N-Dimethylcarbamoyl chloride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 3h; Inert atmosphere;
98%
With triethylamine
With triethylamine
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

(R)-2,2-dimethyl-1,3-dioxolane-4-ylmethyl p-toluenesulfonate
23788-74-1

(R)-2,2-dimethyl-1,3-dioxolane-4-ylmethyl p-toluenesulfonate

(S)-(+)-2,2-dimethyl-4-(3-trifluoromethylphenoxy)methyl-1,3-dioxolane

(S)-(+)-2,2-dimethyl-4-(3-trifluoromethylphenoxy)methyl-1,3-dioxolane

Conditions
ConditionsYield
Stage #1: 3-Trifluoromethylphenol With sodium hydroxide In ethanol; water for 0.166667h;
Stage #2: (R)-2,2-dimethyl-1,3-dioxolane-4-ylmethyl p-toluenesulfonate In ethanol; water for 20h; Solvent; Reagent/catalyst; Temperature; Reflux;
98%
Stage #1: 3-Trifluoromethylphenol With sodium hydroxide In ethanol; water for 0.166667h;
Stage #2: (R)-2,2-dimethyl-1,3-dioxolane-4-ylmethyl p-toluenesulfonate In ethanol; water for 20h; Reflux;
89%
Stage #1: 3-Trifluoromethylphenol With sodium hydroxide In ethanol; water for 0.166667h;
Stage #2: (R)-2,2-dimethyl-1,3-dioxolane-4-ylmethyl p-toluenesulfonate In ethanol; water for 20h; Reflux;
88.7%
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

sodium 2-bromo-2,2-difluoro-acetate

sodium 2-bromo-2,2-difluoro-acetate

α,α-difluoro(3-trifluoromethylphenoxy)acetic acid

α,α-difluoro(3-trifluoromethylphenoxy)acetic acid

Conditions
ConditionsYield
Stage #1: 3-Trifluoromethylphenol With sodium hydride In 1,4-dioxane at 20℃; for 0.5h; Inert atmosphere; Schlenk technique;
Stage #2: sodium 2-bromo-2,2-difluoro-acetate In 1,4-dioxane at 80℃; for 20h; Inert atmosphere;
98%
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

methanesulfonyl chloride
124-63-0

methanesulfonyl chloride

3-(trifluoromethyl)phenyl methanesulfonate
52904-17-3

3-(trifluoromethyl)phenyl methanesulfonate

Conditions
ConditionsYield
With triethylamine In ethyl acetate at 0 - 20℃; for 0.166667h; Green chemistry;97%
With triethylamine In dichloromethane at 0℃; for 0.5h;92%
With pyridine
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

chloroacetonitrile
107-14-2

chloroacetonitrile

(3-trifluoromethylphenoxy)acetonitrile
2145-31-5

(3-trifluoromethylphenoxy)acetonitrile

Conditions
ConditionsYield
With potassium carbonate In acetone Heating;97%
4-[(4-fluorophenyl)sulfonyl]tetrahydro-N-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-pyran-4-carboxamide
226389-21-5

4-[(4-fluorophenyl)sulfonyl]tetrahydro-N-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-pyran-4-carboxamide

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

C24H26F3NO7S
226399-23-1

C24H26F3NO7S

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl acetamide at 95℃; for 21h;97%
vinyl acetate
108-05-4

vinyl acetate

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

3-(trifluoromethyl)phenyl acetate
78950-34-2

3-(trifluoromethyl)phenyl acetate

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane In neat (no solvent) at 70 - 140℃; for 0.183333h; Microwave irradiation;97%
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

t-butyldimethylsilyl amine
41879-37-2

t-butyldimethylsilyl amine

tert-butyl-di-methyl(3-(trifluoromethyl)phenoxy)silane

tert-butyl-di-methyl(3-(trifluoromethyl)phenoxy)silane

Conditions
ConditionsYield
In neat (no solvent) at 20℃; for 0.5h; Green chemistry;97%
C13H13F3N4O5S

C13H13F3N4O5S

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

C19H14F6N4O4

C19H14F6N4O4

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran at 20℃;96.8%
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

(S)-(+)-(2,2-dimethyl-[1,3]dioxolan-4-yl)methanol
22323-82-6

(S)-(+)-(2,2-dimethyl-[1,3]dioxolan-4-yl)methanol

(S)-(+)-2,2-dimethyl-4-(3-trifluoromethylphenoxy)methyl-1,3-dioxolane

(S)-(+)-2,2-dimethyl-4-(3-trifluoromethylphenoxy)methyl-1,3-dioxolane

Conditions
ConditionsYield
With di-isopropyl azodicarboxylate; triphenylphosphine In toluene at 90 - 100℃; for 1.5h; Mitsunobu Displacement;96.46%
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

1-Bromo-2-bromomethyl-benzene
3433-80-5

1-Bromo-2-bromomethyl-benzene

1-bromo-2-[3-(trifluoromethyl)phenoxymethyl]benzene
248582-57-2

1-bromo-2-[3-(trifluoromethyl)phenoxymethyl]benzene

Conditions
ConditionsYield
With potassium carbonate In acetone for 7h; Substitution; Heating;96%
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

ethyl 2-bromomethyl-2-propenoate
17435-72-2

ethyl 2-bromomethyl-2-propenoate

2-(3-trifluoromethyl-phenoxymethyl)-acrylic acid ethyl ester
1004992-01-1

2-(3-trifluoromethyl-phenoxymethyl)-acrylic acid ethyl ester

Conditions
ConditionsYield
Stage #1: 3-Trifluoromethylphenol; ethyl 2-bromomethyl-2-propenoate With potassium carbonate In acetone for 1.5h; Heating / reflux;
Stage #2: With triethylamine for 0.166667h;
96%

98-17-9Relevant articles and documents

Method for hydrolyzing diarylether compound to generate aryl phenol compound

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Paragraph 0082-0085, (2021/09/29)

The invention discloses a method for hydrolyzing a diarylether compound to generate an arylphenol compound. According to the method, visible light is utilized to excite a photosensitizer for catalysis. In a reaction solvent, the raw material in the formula (1) breaks a C (sp2)-O bond under the auxiliary action of acid, and hydrolysis is performed to obtain the bimolecular aryl phenol compounds in the formula (3) and the formula (4). The method can catalyze the reaction at room temperature, is green and environment-friendly, and is easy to operate; the universality is wide, the reaction yield is relatively high, and the tolerance of functional groups is strong; the synthesis method not only can realize small-scale hydrolysis conversion of various diarylether compounds, but also can realize hydrolysis of herbicidal ether, triclosan and a lignin template substrate, and even can realize large-scale hydrolysis of triclosan and the lignin template substrate to realize gram-level degradation. A new strategy is provided for recovering phenol derivatives through lignin hydrolysis, degrading pesticides and purifying wastewater containing a degerming agent or herbicide. The method has wide application prospect and use value.

A mild and practical method for deprotection of aryl methyl/benzyl/allyl ethers with HPPh2andtBuOK

Pan, Wenjing,Li, Chenchen,Zhu, Haoyin,Li, Fangfang,Li, Tao,Zhao, Wanxiang

, p. 7633 - 7640 (2021/09/22)

A general method for the demethylation, debenzylation, and deallylation of aryl ethers using HPPh2andtBuOK is reported. The reaction features mild and metal-free reaction conditions, broad substrate scope, good functional group compatibility, and high chemical selectivity towards aryl ethers over aliphatic structures. Notably, this approach is competent to selectively deprotect the allyl or benzyl group, making it a general and practical method in organic synthesis.

Synthetic method of m-trifluoromethylphenol

-

Paragraph 0022; 0026-0029; 0032-0034; 0037-0041, (2021/11/03)

The invention belongs to the field of organic synthesis, and particularly relates to a synthetic method of m-trifluoromethylphenol. The method comprises the following steps: (1) in a solvent, carrying out Williamson reaction on m-chlorobenzotrifluoride and tert-butyl alcohol under the catalysis of sodium hydride and metal acetate to prepare an intermediate m-trifluoromethylbenzene tert-butyl ether; (2) in a solvent, carrying out tertiary butyl removal on the m-trifluoromethyl benzene tert-butyl ether prepared in the step (1) under the action of a ZSM-5 molecular sieve to prepare the trifluoromethylphenol. The synthesis steps are simple, the cost is low, and the process is more environment-friendly.

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