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3-Mercaptobenzoic acid Manufacturer/High quality/Best price/In stock
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3-MercaptobenzoicAcid
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3-MERCAPTOBENZOIC ACID
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3-Mercaptobenzoic acid
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high quality 3-MERCAPTOBENZOIC ACID
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Benzoic acid,3-mercapto- 4869-59-4
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3-Mercaptobenzoic acid 99%
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Factory Supply 3-mercaptobenzoic acid
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4869-59-4 Usage

Uses

An aromatic thiol compound reducing agent hair cosmetic

Chemical Properties

white to light yellow crystal powder
InChI:InChI=1/C7H6O2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H,(H,8,9)/p-2

4869-59-4 Well-known Company Product Price

Brand (Code)Product description CAS number Packaging Price Detail
Aldrich (451436)  3-Mercaptobenzoicacid  95% 4869-59-4 451436-1G 879.84CNY Detail
Aldrich (451436)  3-Mercaptobenzoicacid  95% 4869-59-4 451436-5G 3,032.64CNY Detail

4869-59-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Mercaptobenzoic Acid

1.2 Other means of identification

Product number -
Other names 3-Mercaptobenzoic acid

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:4869-59-4 SDS

4869-59-4Synthetic route

3-Iodobenzoic acid
618-51-9

3-Iodobenzoic acid

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

Conditions
ConditionsYield
With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide In water; dimethyl sulfoxide at 90℃; for 20h; Inert atmosphere;94%
With sodiumsulfide nonahydrate; copper; ethane-1,2-dithiol In dimethyl sulfoxide at 100℃; for 20h; Inert atmosphere; Green chemistry;92%
Stage #1: 3-Iodobenzoic acid With copper(l) iodide; potassium carbonate; sulfur In N,N-dimethyl-formamide at 90℃; for 12h; Inert atmosphere;
Stage #2: With sodium tetrahydroborate In N,N-dimethyl-formamide at 40℃; Inert atmosphere; Cooling with ice;
91%
3-Carboxybenzenesulfonyl chloride
4025-64-3

3-Carboxybenzenesulfonyl chloride

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

Conditions
ConditionsYield
Stage #1: 3-Carboxybenzenesulfonyl chloride With phosphorus; iodine In acetic acid at 100 - 110℃; for 0.5h;
Stage #2: With water for 1.66667h; Heating / reflux;
92%
With phosphorus; water; iodine In acetic acid91.7%
With triphenylphosphine In toluene for 0.166667h; Inert atmosphere; chemoselective reaction;73%
pyridine
110-86-1

pyridine

3,3'-dithiobis-benzoic acid
1227-49-2

3,3'-dithiobis-benzoic acid

A

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

B

NSC 342015
1234-18-0

NSC 342015

3,3'-dithiobis-benzoic acid
1227-49-2

3,3'-dithiobis-benzoic acid

furan-2,3,5(4H)-trione pyridine (1:1)

furan-2,3,5(4H)-trione pyridine (1:1)

A

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

B

NSC 342015
1234-18-0

NSC 342015

3,3'-dithiobis-benzoic acid
1227-49-2

3,3'-dithiobis-benzoic acid

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

Conditions
ConditionsYield
With hydrogenchloride; zinc
With sodium hydroxide at 18℃;
With water; triphenylphosphine In tetrahydrofuran at 20℃; for 1h;
3-p-tolyldisulfanyl-benzoic acid
861306-71-0

3-p-tolyldisulfanyl-benzoic acid

furan-2,3,5(4H)-trione pyridine (1:1)

furan-2,3,5(4H)-trione pyridine (1:1)

A

di(p-tolyl) disulfide
103-19-5

di(p-tolyl) disulfide

B

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

3-p-tolyldisulfanyl-benzoic acid
861306-71-0

3-p-tolyldisulfanyl-benzoic acid

A

di(p-tolyl) disulfide
103-19-5

di(p-tolyl) disulfide

B

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

Conditions
ConditionsYield
With sodium hydroxide; sodium carbonate
potassium ethyl xanthogenate
140-89-6

potassium ethyl xanthogenate

meta-aminobenzoic acid
99-05-8

meta-aminobenzoic acid

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

Conditions
ConditionsYield
With hydrogenchloride; water; sodium nitrite Erwaermen des Reaktionsprodukts mit aethanol. Kalilauge;
3,3'-dithiobis-benzoic acid
1227-49-2

3,3'-dithiobis-benzoic acid

aniline
62-53-3

aniline

A

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

B

NSC 342015
1234-18-0

NSC 342015

3-chlorobenzoate
535-80-8

3-chlorobenzoate

A

4-mercaptobenzoic acid
1074-36-8

4-mercaptobenzoic acid

B

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

Conditions
ConditionsYield
With sodium tetrahydroborate; sulfur 1.) 360 deg C, NaOH-KOH melt, 3 min.; 2.) water; Yield given. Multistep reaction. Yields of byproduct given;
dichloride of/the/ benzoic acid sulfonic acid-(3)

dichloride of/the/ benzoic acid sulfonic acid-(3)

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

Conditions
ConditionsYield
With hydrogenchloride; tin
phosphoric acid
86119-84-8, 7664-38-2

phosphoric acid

3-Carboxybenzenesulfonyl chloride
4025-64-3

3-Carboxybenzenesulfonyl chloride

phosphorus

phosphorus

potassium iodide

potassium iodide

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

3-p-tolyldisulfanyl-benzoic acid
861306-71-0

3-p-tolyldisulfanyl-benzoic acid

natrium carbonate

natrium carbonate

A

di(p-tolyl) disulfide
103-19-5

di(p-tolyl) disulfide

B

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

3-(3-oxo-1,3-diphenyl-propylsulfanyl)-benzoic acid

3-(3-oxo-1,3-diphenyl-propylsulfanyl)-benzoic acid

aqueous sodium carbonate

aqueous sodium carbonate

A

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

B

1,3-diphenyl-propen-3-one
614-47-1

1,3-diphenyl-propen-3-one

benzoic acid
65-85-0

benzoic acid

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 85.6 percent / chlorosulfonic acid / 2 h / 120 - 125 °C
2: 91.7 percent / red phosphorus, iodine, water / acetic acid
View Scheme
Multi-step reaction with 2 steps
1: chlorosulfonic acid / 125 °C
2: zinc dust; concentrated hydrochloric acid; alcohol
View Scheme
3-sulfinobenzoic acid
15451-00-0

3-sulfinobenzoic acid

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: concentrated hydriodic acid; sulfuric acid; water
2: p-tolyl mercaptan; alcohol
3: natrium carbonate; NaOH-solution
View Scheme
NSC 342015
1234-18-0

NSC 342015

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: p-tolyl mercaptan; alcohol
2: natrium carbonate; NaOH-solution
View Scheme
C11H12O3S2
1012060-97-7

C11H12O3S2

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

Conditions
ConditionsYield
With potassium hydroxide In methanol at 20℃; for 18h;
methanol
67-56-1

methanol

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

methyl 3-sulfanylbenzoate
72886-42-1

methyl 3-sulfanylbenzoate

Conditions
ConditionsYield
With hydrogenchloride for 4h; Esterification; Heating;100%
Stage #1: methanol; 3-mercapto benzoic acid With sulfuric acid at 0 - 20℃; for 20h; Heating / reflux;
Stage #2: With sodium hydrogencarbonate In water; ethyl acetate
85.9%
With sulfuric acid for 4h; Reflux;77%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

triethylamine
121-44-8

triethylamine

triethylammonium hemi(3,3'-disulfanediyldibenzoate)

triethylammonium hemi(3,3'-disulfanediyldibenzoate)

Conditions
ConditionsYield
With air In tetrahydrofuran at 50℃; for 12h;100%
6-iodo-3-[3-(2-morpholin-4-yl-ethoxy)-phenyl]-[1,2,4]triazolo[4,3-a]pyridine
1241507-32-3

6-iodo-3-[3-(2-morpholin-4-yl-ethoxy)-phenyl]-[1,2,4]triazolo[4,3-a]pyridine

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

3-{3-[3-(2-morpholin-4-yl-ethoxy)-phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ylsulfanyl}-benzoic acid
1241507-33-4

3-{3-[3-(2-morpholin-4-yl-ethoxy)-phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ylsulfanyl}-benzoic acid

Conditions
ConditionsYield
With caesium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In N,N-dimethyl-formamide at 90℃; for 24h; Inert atmosphere;100%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

diethylene glycol
111-46-6

diethylene glycol

di(ethylene glycol) bis(3-mercaptobenzoate)

di(ethylene glycol) bis(3-mercaptobenzoate)

Conditions
ConditionsYield
With sulfuric acid In toluene for 6h; Heating / reflux;99%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

tert-butyl (Z)-(4-bromo-3-fluorobut-2-en-1-yl)carbamate

tert-butyl (Z)-(4-bromo-3-fluorobut-2-en-1-yl)carbamate

(Z)-3-((4-((tert-butoxycarbonyl)amino)-2-fluorobut-2-en-1-yl)thio)benzoic acid

(Z)-3-((4-((tert-butoxycarbonyl)amino)-2-fluorobut-2-en-1-yl)thio)benzoic acid

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 1h;99%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

methyl iodide
74-88-4

methyl iodide

3-methanesulfanyl benzoic acid methyl ester
90721-40-7

3-methanesulfanyl benzoic acid methyl ester

Conditions
ConditionsYield
With potassium carbonate In acetone98%
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 0 - 20℃; for 1h;96%
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 0 - 20℃; for 1h;96%
1-(3-(bromomethyl)phenyl)-4-phenyl-1H-indole
1313802-49-1

1-(3-(bromomethyl)phenyl)-4-phenyl-1H-indole

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

3-(3-(4-phenyl-1H-indol-1-yl)benzylthio)benzoic acid
1313802-50-4

3-(3-(4-phenyl-1H-indol-1-yl)benzylthio)benzoic acid

Conditions
ConditionsYield
Stage #1: 3-mercapto benzoic acid With sodium hydroxide In tetrahydrofuran; water at 100℃; for 0.0833333h;
Stage #2: 1-(3-(bromomethyl)phenyl)-4-phenyl-1H-indole In tetrahydrofuran; water at 20℃; for 1h;
Stage #3: With hydrogenchloride In tetrahydrofuran; water
98%
Stage #1: 3-mercapto benzoic acid With sodium hydroxide In water at 100℃; for 0.0833333h;
Stage #2: 1-(3-(bromomethyl)phenyl)-4-phenyl-1H-indole In tetrahydrofuran; water at 25℃; for 16h;
98%
di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

3-S-(t-butoxycarbonyl)mercaptobenzoic acid
323191-90-8

3-S-(t-butoxycarbonyl)mercaptobenzoic acid

Conditions
ConditionsYield
With dmap; triethylamine In tetrahydrofuran at 20℃;97%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

isopropyl alcohol
67-63-0

isopropyl alcohol

diisopropyl 3,3’-dithiobisbenzoate

diisopropyl 3,3’-dithiobisbenzoate

Conditions
ConditionsYield
With thionyl chloride at 80℃; for 168h;97%
bis-(5,5-dimethyl-2-thiono-1,3,2-dioxaphosphorinan-2-yl)disulfide
4073-59-0

bis-(5,5-dimethyl-2-thiono-1,3,2-dioxaphosphorinan-2-yl)disulfide

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

C12H15O4PS3

C12H15O4PS3

Conditions
ConditionsYield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 0℃; for 0.0833333h; Solvent;96%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

ethyl iodide
75-03-6

ethyl iodide

3-ethylsulfanylbenzoic acid
5537-74-6

3-ethylsulfanylbenzoic acid

Conditions
ConditionsYield
With sodium hydroxide In ethanol at 20℃; for 15h;96%
2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

2-ethylhexyl 3-mercaptobenzoate
86705-33-1

2-ethylhexyl 3-mercaptobenzoate

Conditions
ConditionsYield
With sulfuric acid In toluene for 6h; Heating / reflux;95%
2-bromo-4-chlorobenzyl bromide
33924-45-7

2-bromo-4-chlorobenzyl bromide

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

3-[(2-bromo-4-chlorophenyl)methylsulfanyl]benzoic acid

3-[(2-bromo-4-chlorophenyl)methylsulfanyl]benzoic acid

Conditions
ConditionsYield
With triethylamine In acetonitrile at 45℃; for 20h;95%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

2-bromoethanol
540-51-2

2-bromoethanol

3-[(2-hydroxyethyl)sulfanyl]benzoic acid

3-[(2-hydroxyethyl)sulfanyl]benzoic acid

Conditions
ConditionsYield
With sodium hydride In ethanol at 20℃; for 2h;94%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

{FeBd2(BrGm)(BF)2}2

{FeBd2(BrGm)(BF)2}2

{FeBd2((meta-HOOCC6H4S)Gm)(BF)2}2

{FeBd2((meta-HOOCC6H4S)Gm)(BF)2}2

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide for 0.5h; Inert atmosphere;92%
With triethylamine In N,N-dimethyl-formamide for 0.5h; Inert atmosphere;92%
(tricyclohexylphosphine)gold(I) chloride
49763-41-9

(tricyclohexylphosphine)gold(I) chloride

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

C25H38AuO2PS

C25H38AuO2PS

Conditions
ConditionsYield
With sodium hydroxide In water; acetonitrile at 50℃;91%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

4-{[3-(chloromethyl)phenoxy]methyl}-5-methyl-2-phenyl-1,3-oxazole
174258-32-3

4-{[3-(chloromethyl)phenoxy]methyl}-5-methyl-2-phenyl-1,3-oxazole

3-[3-[(5-methyl-2-phenyl-4-oxazolyl)methoxy]benzylthio]benzoic acid

3-[3-[(5-methyl-2-phenyl-4-oxazolyl)methoxy]benzylthio]benzoic acid

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide at 1 - 30℃; for 1h;90%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

benzyl alcohol
100-51-6

benzyl alcohol

3-(benzylthio)benzoic acid
60739-40-4

3-(benzylthio)benzoic acid

Conditions
ConditionsYield
With water; palladium diacetate; sodium 3-(diphenylphosphanyl)benzenesulfonate at 120℃; for 24h; chemoselective reaction;90%
With tris-(dibenzylideneacetone)dipalladium(0) In water at 120℃; for 16h; Sealed tube;80%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

4-chlorobenzyl bromide
622-95-7

4-chlorobenzyl bromide

3-((4-chlorobenzyl)thio)benzoic acid
1367928-40-2

3-((4-chlorobenzyl)thio)benzoic acid

Conditions
ConditionsYield
With potassium hydroxide In ethanol; water for 24h; Reflux;90%
Stage #1: 3-mercapto benzoic acid; 4-chlorobenzyl bromide With potassium hydroxide In ethanol; water for 20h; Reflux;
Stage #2: With potassium hydroxide In ethanol; water for 4h; Reflux;
90%
chloroauric acid

chloroauric acid

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

Au25(1-)*18C7H5O2S(1-)

Au25(1-)*18C7H5O2S(1-)

Conditions
ConditionsYield
Stage #1: chloroauric acid; 3-mercapto benzoic acid With sodium hydroxide In water for 2h;
Stage #2: With carbon monoxide In water for 72h; pH=11.6;
90%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

3-methoxycarbonylbenzyl bromide
1129-28-8

3-methoxycarbonylbenzyl bromide

3-(3-(methoxycarbonyl)benzylthio)benzoic acid

3-(3-(methoxycarbonyl)benzylthio)benzoic acid

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide for 16h;90%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

3-mercaptobenzyl alcohol
83794-86-9

3-mercaptobenzyl alcohol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran for 6h; Heating;89%
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; Inert atmosphere;22%
Multi-step reaction with 4 steps
1: 1.) bromine, 2.) potassium carbonate / 1.) dichloromethane, irradiated, 2.75 h, 2.) water, 5-12 deg C, 30 min; 12 deg C, 40 min.
2: sodium borohydride, boron trifluoride etherate / tetrahydrofuran / 5 h / 10 - 15 °C
3: 78.4 percent / sodium hydroxide; HCl / methanol; H2O / 1 h / Heating
4: 92 percent / dry hydrogen bromide / tetrahydrothiophene 1,1-dioxide / 3 h / 15 °C
View Scheme
[tris(μ-1,2-dichloro-1,2-ethanedionedioximato-O:O')di-n-butyldiboronato-2]-N-N1,N2,N3,N4,N5-iron(II)

[tris(μ-1,2-dichloro-1,2-ethanedionedioximato-O:O')di-n-butyldiboronato-2]-N-N1,N2,N3,N4,N5-iron(II)

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

Fe((meta-HOOCC6H4S)2C2N2O2)3(B(n-C4H9))2

Fe((meta-HOOCC6H4S)2C2N2O2)3(B(n-C4H9))2

Conditions
ConditionsYield
With triethyl amine In dichloromethane under Ar; Fe compd. and proper benzoic acid dissolved in CH2Cl2, soln. of Et3N in CH2Cl2 added dropwise, stirred (24 h); flash chromy. (SiO2, CH2Cl2-DMF 2:1, then DMF), pptd. (Et2O-hexane), washed (hexane), dried (vac.); elem. anal.;89%
Isobutyl bromide
78-77-3

Isobutyl bromide

3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

3-(isobutylthio)benzoic acid

3-(isobutylthio)benzoic acid

Conditions
ConditionsYield
With sodium hydroxide In ethanol; water at 60℃; for 12h;89%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

acetic anhydride
108-24-7

acetic anhydride

3-(acetylthio)benzoic acid
90887-44-8

3-(acetylthio)benzoic acid

Conditions
ConditionsYield
Stage #1: 3-mercapto benzoic acid; acetic anhydride With sodium hydroxide In water at 0℃; for 1h;
Stage #2: With hydrogenchloride In water
88%
With sodium hydroxide In water at 0℃; for 1h;88%
With sodium hydroxide at 0℃; for 1h;88%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

allyl bromide
106-95-6

allyl bromide

3-allylsulfanyl-benzoic acid allyl ester
864148-06-1

3-allylsulfanyl-benzoic acid allyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide for 0.5h;86%
3-mercapto benzoic acid
4869-59-4

3-mercapto benzoic acid

(5-Bromo-thiazol-2-yl)-pyridin-2-yl-amine
54670-78-9

(5-Bromo-thiazol-2-yl)-pyridin-2-yl-amine

3-[2-(pyridin-2-ylamino)-thiazol-5-ylsulfanyl]-benzoic acid
439579-07-4

3-[2-(pyridin-2-ylamino)-thiazol-5-ylsulfanyl]-benzoic acid

Conditions
ConditionsYield
With sodium methylate In methanol86%
With sodium methylate In methanol at 52℃;

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