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2171-74-6

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2171-74-6 Usage

General Description

Benzo[1,3]dioxol-2-one, also known as 1,3-Benzodioxol-5-one and Peranone, is an aromatic, organic compound. It contains a benzene ring fused to a dioxolane ring. The systematic name of this compound is derived from its structural features, where the benzene ring is attached to a 1,3-dioxol-2-one ring. It's often used as an intermediate in organic synthesis and plays a significant role in the chemical industry. Despite its important usage, data on its potential health effects or hazard levels seem to be limited or not readily available. More analyses and research could be useful in comprehensively understanding the nature and safety of this particular chemical compound.

Check Digit Verification of cas no

The CAS Registry Mumber 2171-74-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,1,7 and 1 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 2171-74:
(6*2)+(5*1)+(4*7)+(3*1)+(2*7)+(1*4)=66
66 % 10 = 6
So 2171-74-6 is a valid CAS Registry Number.
InChI:InChI=1/C7H4O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

2171-74-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name BENZO[1,3]DIOXOL-2-ONE

1.2 Other means of identification

Product number -
Other names 1,3-Benzodioxol-2-one

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:2171-74-6 SDS

2171-74-6Synthetic route

Benzo[1,3]dioxol-2-ylidene-dimethyl-ammonium; chloride
36156-21-5

Benzo[1,3]dioxol-2-ylidene-dimethyl-ammonium; chloride

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With water for 0.0833333h;100%
chloroform
67-66-3

chloroform

benzene-1,2-diol
120-80-9

benzene-1,2-diol

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With pyridine; oxygen at 20℃; for 2h; Irradiation;99%
benzene-1,2-diol
120-80-9

benzene-1,2-diol

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With sodium methylate at 90℃; for 24h; Molecular sieve;90%
pyrocatechol bis(dichloroacetate)

pyrocatechol bis(dichloroacetate)

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With potassium carbonate In acetone for 14h; Inert atmosphere; Reflux;77%
phenyl isocyanate
103-71-9

phenyl isocyanate

benzene-1,2-diol
120-80-9

benzene-1,2-diol

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With tris(bis(trimethylsilyl)amido)lanthanum(III) In toluene at 80℃; for 24h; Inert atmosphere; Schlenk technique; chemoselective reaction;74%
2,2-dichloro-1,3-benzodioxole
2032-75-9

2,2-dichloro-1,3-benzodioxole

triethyl phosphite
122-52-1

triethyl phosphite

A

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

B

2,2-bis(diethylphosphono)-1,3-benzodioxole
16259-89-5

2,2-bis(diethylphosphono)-1,3-benzodioxole

Conditions
ConditionsYield
at 150 - 160℃; for 5h;A n/a
B 65%
bis(phenyl) carbonate
102-09-0

bis(phenyl) carbonate

benzene-1,2-diol
120-80-9

benzene-1,2-diol

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine In 2-methyltetrahydrofuran at 30℃; for 3h;64%
at 250℃;
2-ethoxy-benzo[1,3]dioxole
64736-45-4

2-ethoxy-benzo[1,3]dioxole

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With di-tert-butyl peroxide In benzene at 140℃; for 5h;55%
2-sec-butoxy-1,3-benzodioxole

2-sec-butoxy-1,3-benzodioxole

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With di-tert-butyl peroxide In benzene at 140℃; for 5h;54%
With tert.-butylhydroperoxide In benzene at 140℃; for 5h; Rate constant;54%
2-sec-butoxy-1,3-benzodioxole

2-sec-butoxy-1,3-benzodioxole

A

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

B

s-butyl chloride
78-86-4, 53178-20-4

s-butyl chloride

Conditions
ConditionsYield
With tert.-butylhydroperoxide In tetrachloromethane at 130℃; for 2h; Rate constant;A 50%
B 38%
2-butoxy-1,3-benzodioxole
113439-62-6

2-butoxy-1,3-benzodioxole

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With di-tert-butyl peroxide In benzene at 140℃; for 5h;46%
chloroformic acid ethyl ester
541-41-3

chloroformic acid ethyl ester

benzene-1,2-diol
120-80-9

benzene-1,2-diol

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
31%
With potassium hydroxide
carbon monoxide
201230-82-2

carbon monoxide

benzene-1,2-diol
120-80-9

benzene-1,2-diol

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With oxygen; palladium diacetate; tetra-(n-butyl)ammonium iodide In acetonitrile at 120℃; under 15001.5 Torr; Flow reactor;26%
With palladium diacetate; triethylamine; triphenylphosphine In tetrahydrofuran at 100 - 110℃; under 20686.5 Torr; for 15h; Autoclave;89 %Chromat.
carbon dioxide
124-38-9

carbon dioxide

cyclohexane-1,2-epoxide
286-20-4

cyclohexane-1,2-epoxide

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With tetrabutylammomium bromide at 20℃; under 9000.9 Torr; for 18h;10%
ethyl (2-hydroxyphenyl) carbonate
32315-93-8

ethyl (2-hydroxyphenyl) carbonate

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

oxalodiimidic acid bis-(2-hydroxy-phenyl ester)

oxalodiimidic acid bis-(2-hydroxy-phenyl ester)

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
at 270 - 290℃;
phosgene
75-44-5

phosgene

benzene-1,2-diol
120-80-9

benzene-1,2-diol

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With sodium hydroxide; toluene
With sodium hydroxide; toluene
Dichloro-acetic acid 2-(2,2-dichloro-acetoxy)-phenyl ester
58462-99-0

Dichloro-acetic acid 2-(2,2-dichloro-acetoxy)-phenyl ester

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran
2-methoxy-4,5-benz-1,3-dioxolane
6823-42-3

2-methoxy-4,5-benz-1,3-dioxolane

di-tert-butyl peroxide
110-05-4

di-tert-butyl peroxide

A

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
In chlorobenzene at 140℃; for 1h; Product distribution; Rate constant; other reaction time;
2-methoxy-4,5-benz-1,3-dioxolane
6823-42-3

2-methoxy-4,5-benz-1,3-dioxolane

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With di-tert-butyl peroxide In chlorobenzene at 140℃; Yield given;
2-methoxyphenyl chlorocarbonate
2293-75-6

2-methoxyphenyl chlorocarbonate

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With hydrogen fluoride In various solvent(s) under 19501.6 Torr; for 6h; Heating;
benzene-1,2-diol
120-80-9

benzene-1,2-diol

carbonic acid bis-imidazolidide

carbonic acid bis-imidazolidide

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
at 120℃;
oxalodiimidic acid bis-<2-hydroxy-phenyl ester> (?)

oxalodiimidic acid bis-<2-hydroxy-phenyl ester> (?)

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

pyrocatechol-dichloromethylene ether

pyrocatechol-dichloromethylene ether

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
With water
ethanedinitrile
460-19-5

ethanedinitrile

water
7732-18-5

water

benzene-1,2-diol
120-80-9

benzene-1,2-diol

A

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

B

oxalimidoic acid bis-<2-hydroxy-phenyl ester>

oxalimidoic acid bis-<2-hydroxy-phenyl ester>

ethanedinitrile
460-19-5

ethanedinitrile

benzene-1,2-diol
120-80-9

benzene-1,2-diol

aqueous boric acid

aqueous boric acid

A

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

B

oxalimidoic acid bis-<2-hydroxy-phenyl ester>

oxalimidoic acid bis-<2-hydroxy-phenyl ester>

benzene-1,2-diol
120-80-9

benzene-1,2-diol

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

A

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

B

1,2-dimethoxybenzene
91-16-7

1,2-dimethoxybenzene

C

2-methoxy-phenol
90-05-1

2-methoxy-phenol

D

3-methylbenzene-1,2-diol
488-17-5

3-methylbenzene-1,2-diol

Conditions
ConditionsYield
With potassium; magnesium oxide at 309.85℃; Product distribution; Further Variations:; Temperatures; Reagents;
benzene-1,2-diol
120-80-9

benzene-1,2-diol

1,2-bis<2-(-p-toluenesulfonyloxy)ethoxy>amine

1,2-bis<2-(-p-toluenesulfonyloxy)ethoxy>amine

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: benzene; diethyl ether
2: NaH / tetrahydrofuran
View Scheme
dimethyl 2,2’-(carbonylbis(oxy))dibenzoate
82091-12-1

dimethyl 2,2’-(carbonylbis(oxy))dibenzoate

benzene-1,2-diol
120-80-9

benzene-1,2-diol

A

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

B

methyl salicylate
119-36-8

methyl salicylate

Conditions
ConditionsYield
sodium hydroxide In chloroform at 61℃; for 1.5h; Inert atmosphere;
1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

isopropyl alcohol
67-63-0

isopropyl alcohol

A

bis-2-propyl carbonate
6482-34-4

bis-2-propyl carbonate

B

benzene-1,2-diol
120-80-9

benzene-1,2-diol

Conditions
ConditionsYield
With sodium methylate In neat (no solvent) at 100℃; under 1500.15 Torr; for 5h; Inert atmosphere; Autoclave;A 67%
B 100%
With sodium methylate at 100℃; for 5h; Temperature; Autoclave; Inert atmosphere;A 90 %Chromat.
B n/a
1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

butan-1-ol
71-36-3

butan-1-ol

A

Dibutyl carbonate
542-52-9

Dibutyl carbonate

B

benzene-1,2-diol
120-80-9

benzene-1,2-diol

Conditions
ConditionsYield
With sodium methylate In neat (no solvent) at 60℃; for 1h; Catalytic behavior; Temperature; Reagent/catalyst; Inert atmosphere;A 58%
B 90%
With sodium methylate at 60℃; for 1h; Reagent/catalyst; Temperature; Inert atmosphere;A 71 %Chromat.
B n/a
1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

glycerol
56-81-5

glycerol

4-hydroxymethyl-1,3-dioxolan-2-one
931-40-8

4-hydroxymethyl-1,3-dioxolan-2-one

Conditions
ConditionsYield
With magnesium oxide In tetrahydrofuran at 60℃; under 760.051 Torr; for 1h; Catalytic behavior; Time; Temperature; Reagent/catalyst; Solvent; Inert atmosphere;77%
With sodium methylate at 60℃; for 1h; Reagent/catalyst; Temperature; Time; Inert atmosphere;95.5 %Chromat.
1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

2,6-di-tert-butyl-4-methyl-phenol
128-37-0

2,6-di-tert-butyl-4-methyl-phenol

A

4-(1,3-benzodioxol-5-yl)-2,6-di-tert-butyl-4-methylcyclohexa-2,5-dien-1-one
1127943-05-8

4-(1,3-benzodioxol-5-yl)-2,6-di-tert-butyl-4-methylcyclohexa-2,5-dien-1-one

B

4-(1,3-benzodioxol-5-ylmethyl)-2,6-di-tert-butylphenol
1127943-07-0

4-(1,3-benzodioxol-5-ylmethyl)-2,6-di-tert-butylphenol

Conditions
ConditionsYield
With bis-[(trifluoroacetoxy)iodo]benzene In 1,1,1,3',3',3'-hexafluoro-propanol at 0℃; for 0.0388889h; oxidative Friedel Crafts reaction;A 64%
B n/a
1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

benzene-1,2-diol
120-80-9

benzene-1,2-diol

Conditions
ConditionsYield
With diisobutylaluminium hydride In toluene Heating;49%
With water; sodium methylate In toluene at 100℃; for 6h; Temperature; Solvent;99 %Chromat.
1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

D-glucosamine hydrochloride
14131-63-6

D-glucosamine hydrochloride

acetic anhydride
108-24-7

acetic anhydride

A

1,3,4,6-tetra-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranose
10022-13-6

1,3,4,6-tetra-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranose

B

1,3,4,6-tetra-O-acetyl-2-phthalimido-2-deoxy-α-D-glucopyranose
10022-13-6, 31505-44-9, 79733-86-1, 81704-02-1, 116347-84-3, 131234-07-6, 144300-04-9

1,3,4,6-tetra-O-acetyl-2-phthalimido-2-deoxy-α-D-glucopyranose

Conditions
ConditionsYield
Stage #1: D-glucosamine hydrochloride With sodium methylate In methanol at 0 - 20℃;
Stage #2: 1,3-benzodioxol-2-one With triethylamine In methanol at 20℃; for 24h;
Stage #3: acetic anhydride With pyridine at 20℃; for 48h; optical yield given as %de;
A n/a
B 44%
1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

8-Methyl-decahydro-naphthalen-1-ol
75519-25-4

8-Methyl-decahydro-naphthalen-1-ol

8β-methyl-trans-1α-decalyl hydrogenphthalate
75519-26-5, 75556-98-8, 75557-00-5, 75557-01-6

8β-methyl-trans-1α-decalyl hydrogenphthalate

8α-methyl-cis-1β-decalyl hydrogenphthalate
75519-26-5, 75556-98-8, 75557-00-5, 75557-01-6

8α-methyl-cis-1β-decalyl hydrogenphthalate

Conditions
ConditionsYield
With pyridine for 4h; Heating;A 40.9%
B 6.9%
With pyridineA 40.9%
B 6.9%
methanol
67-56-1

methanol

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

methylcyclopentadiene-1-carboxylate
45657-86-1

methylcyclopentadiene-1-carboxylate

Conditions
ConditionsYield
at 840℃;34%
1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

Eudesmic acid
118-41-2

Eudesmic acid

5-(3,4,5-trimethoxybenzoyl)-1,3-benzodioxol-2-one
1344112-16-8

5-(3,4,5-trimethoxybenzoyl)-1,3-benzodioxol-2-one

Conditions
ConditionsYield
With methanesulfonic acid; phosphorus pentoxide at 50℃; for 26h; Friedel Crafts acylation; Inert atmosphere;3%
1,6-Hexanediamine
124-09-4

1,6-Hexanediamine

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

N,N'-hexanediyl-bis-carbamic acid bis-(2-hydroxy-phenyl ester)

N,N'-hexanediyl-bis-carbamic acid bis-(2-hydroxy-phenyl ester)

Conditions
ConditionsYield
With ethanol at 0℃;
1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

ethanol
64-17-5

ethanol

ethyl (2-hydroxyphenyl) carbonate
32315-93-8

ethyl (2-hydroxyphenyl) carbonate

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

ethylamine
75-04-7

ethylamine

ethyl-carbamic acid-(2-hydroxy-phenyl ester)
35580-89-3

ethyl-carbamic acid-(2-hydroxy-phenyl ester)

Conditions
ConditionsYield
With ethanol
1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

1,4-diaminobutane
110-60-1

1,4-diaminobutane

N,N'-butanediyl-bis-carbamic acid bis-(2-hydroxy-phenyl ester)

N,N'-butanediyl-bis-carbamic acid bis-(2-hydroxy-phenyl ester)

Conditions
ConditionsYield
With acetone
1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

aniline
62-53-3

aniline

2-Phenylcarbamoyloxy-phenol
35580-96-2

2-Phenylcarbamoyloxy-phenol

1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

1-amino-2-propene
107-11-9

1-amino-2-propene

allyl-carbamic acid-(2-hydroxy-phenyl ester)
79224-96-7

allyl-carbamic acid-(2-hydroxy-phenyl ester)

Conditions
ConditionsYield
With benzene at 70℃;
1,3-benzodioxol-2-one
2171-74-6

1,3-benzodioxol-2-one

o-toluidine
95-53-4

o-toluidine

A

N,N'-bis(2-methylphenyl)urea
617-07-2

N,N'-bis(2-methylphenyl)urea

B

benzene-1,2-diol
120-80-9

benzene-1,2-diol

2171-74-6Relevant articles and documents

Aqueous microwave-assisted synthesis of non-interpenetrated metal-organic framework for room temperature cycloaddition of CO2 and epoxides

Babu, Robin,Kim, Seol-Hee,Kathalikkattil, Amal Cherian,Kuruppathparambil, Roshith Roshan,Kim, Dong Woo,Cho, Sung June,Park, Dae-Won

, p. 126 - 136 (2017)

A multilinker non-interpenetrated metal-organic framework, UMCM-15, was synthesized by using microwave power as an alternative energy-efficient tool for the first time. The synergistic catalytic activity, when combined with a co-catalyst containing a strongly nucleophilic anion, was studied in the solventless room temperature cycloaddition between epoxides and CO2. Unlike previous reports on UMCM-15 synthesized in the high-boiling solvent dimethylformamide, low boiling water/ethanol mixture was used as the solvent herein. This approach holds potential as a sustainable green methodology. Crystal formation during the microwave-assisted (MW) synthesis was monitored at certain time intervals. The favorable role of non-interpenetrated pillared structures in promoting room temperature CO2-epoxide cycloaddition reactions was explained by comparing the catalytic efficiency of the three-linker extended pillar-layered non-interpenetrated UMCM-15 with its analogous pillared structures built from two- and three-fold interpenetrated ([Zn2(BDC)2(4,4′-bipy)] and [Zn2(NDC)2(4,4′-bipy)]) catalytic systems with a single dicarboxylate linker. The efficacy of the microwave-assisted UMCM-15(M) catalyst in cycloaddition reactions was proved by comparing the catalytic activity of UMCM-15(M) with that of the congener made by solvothermal synthesis, UMCM-15(S). In addition, a plausible mechanism for the synergistic operation of the Lewis acid sites and nucleophiles was suggested.

Two Cu(II)-organic frameworks: Effective CO2 fixation and protective activity on the motor function after stroke by increasing neural stem cells differentiation

Ye, Qing,Zhang, Li,Shao, Zhou-Li,Zhang, Wei,Li, Chao,Ye, Xiang-Ming

, (2020)

In the present research, two novel metal–organic frameworks (MOFs) containing Cu(II) ions as nodes {[Cu(L)]·2DMF·2H2O}n (1) and {[(CH3)2NH2][Cu2(L)(H2O)PO4]·2DMF}

Fluorodesulfurization of Thionobenzodioxoles with Silver(I) Fluoride

Newton, Josiah J.,Brooke, Alan J.,Duhamel, Bastian,Pulfer, Jason M.,Britton, Robert,Friesen, Chadron M.

, p. 13298 - 13305 (2020/11/26)

Difluorobenzodioxole is an important functional group found in both pharmaceuticals and agrochemicals. The late-stage introduction of this functional group is challenged by typical fluorination conditions of HF and strong oxidants. Here, we demonstrate that a range of difluorobenzodioxoles can be prepared from catechols in two steps through conversion into thionobenzodioxoles, followed by desulfurative fluorination with silver(I) fluoride. These mild reaction conditions are compatible with a variety of functional groups and enable access to a range of functionalized difluorobenzodioxoles.

CARBONATE DERIVATIVE PRODUCTION METHOD

-

Paragraph 0114-0115, (2020/04/09)

The objective of the present invention is to provide a method for producing a carbonate derivative in a safe and efficient manner. The method for producing a carbonate derivative according to the present invention is characterized in comprising irradiating light on a composition containing a C1-4 halogenated hydrocarbon having one or more kinds of halogen atoms selected from the group consisting of a chlorine atom, a bromine atom and an iodine atom, a nucleophilic functional group-containing compound and the specific base in the presence of oxygen.

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