Methylboronic acid supplier | CasNO.13061-96-6

Name
Methylboronic acid
EINECS 629-203-8
CAS No. 13061-96-6
Article Data41
CAS DataBase
Density 0.965 g/cm³
Solubility Soluble in water.
Melting Point 91-94 °C
Formula CH₅BO₂
Boiling Point 141.745 °C at 760 mmHg
Molecular Weight 59.8605
Flash Point 39.526 °C
Transport Information
Appearance White to light yellow crystal powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Methaneboronicacid (6CI,7CI,8CI);Boronicacid, methyl- (9CI);Methaneboronic acid;
PSA 40.46000
LogP -0.91100

Synthetic route

: 13292-87-0
dimethyl sulfide borane

: 13061-96-6
dihydroxy-methyl-borane

Conditions

Conditions	Yield
With carbon monoxide; water In tetrahydrofuran byproducts: S(CH3)2; a soln. of BH3*S(CH3)2 flushed with CO; a soln. of catalyst added, stirred rapidly and maintained at 25°C for 12-16 h; water added; evapd.;	94%

: 5419-55-6
Triisopropyl borate

: 917-54-4
methyllithium

: 13061-96-6
dihydroxy-methyl-borane

Conditions

Conditions	Yield
With hydrogenchloride In diethyl ether byproducts: LiCl, i-propanol; (N2); a soln. of B(O-i-Pr)3 cooled with a dry ice-acetone bath; CH3Li added slowly and stirred for 1 h; allowed to warm to room temp. with stirring for 3 h; cooled to 0°C; a soln. of HCl in ether added and stirred for 0.5 h; decanted; hydrolyzed with water; distd.; dried;	79%

: 917-64-6
methyl magnesium iodide

: 121-43-7
Trimethyl borate

: 13061-96-6
dihydroxy-methyl-borane

Conditions

Conditions	Yield
With diethyl ether Zers. des Reaktionsproduktes durch angesaeuertes Wasser, wobei Verseifung des intermediaer gebildeten Methylborsaeureesters stattfindet;

: 121-43-7
Trimethyl borate

: 75-16-1
methylmagnesium bromide

: 13061-96-6
dihydroxy-methyl-borane

Conditions

Conditions	Yield
With diethyl ether und anschliessend mit wss.H2SO4;

: 121-43-7
Trimethyl borate

: methylmagnesium iodide

A: 593-90-8
trimethylborane

B: 13061-96-6
dihydroxy-methyl-borane

Conditions

Conditions	Yield
Zers. des entstandenen 'Methylborsaeuredimethylesters' CH3B(OCH3)2 durch angesaeuertes Wasser;

...Expand

: 17933-16-3
dibromomethylborane

: 13061-96-6
dihydroxy-methyl-borane

Conditions

Conditions	Yield
With water
With water

: 5314-85-2
2,4,6-Trimethyl-[1,3,5,2,4,6]triazatriborinane

: 13061-96-6
dihydroxy-methyl-borane

Conditions

Conditions	Yield
With water at 150℃;

: 16321-94-1
1,2-Dimethylboran

: 13061-96-6
dihydroxy-methyl-borane

Conditions

Conditions	Yield
With water at 150℃;

: 7647-01-0
hydrogenchloride

: 877-07-6
hexamethylborazine

A: 13061-96-6
dihydroxy-methyl-borane

B: 593-51-1
methylamine hydrochloride

Conditions

Conditions	Yield
at 100℃; Hydrolysis;

...Expand

: 121-43-7
Trimethyl borate

CH3MgCl: CH3MgCl

A: 593-90-8
trimethylborane

B: 13061-96-6
dihydroxy-methyl-borane

...Expand

: 593-90-8
trimethylborane

: 7732-18-5
water

A: 13061-96-6
dihydroxy-methyl-borane

B: 823-96-1
Trimethylboroxine

C: 19163-04-3
Dimethylborinsaeure-anhydrid

Conditions

Conditions	Yield
at 320℃;

...Expand

: 5314-85-2
2,4,6-Trimethyl-[1,3,5,2,4,6]triazatriborinane

: 7732-18-5
water

A: 13061-96-6
dihydroxy-methyl-borane

B: 7664-41-7
ammonia

Conditions

Conditions	Yield
at 150℃;

...Expand

: 7647-01-0
hydrogenchloride

: 21127-95-7
2-methyl-borazine

A: 13061-96-6
dihydroxy-methyl-borane

B: ammonium chloride

C H3BO3: H3BO3

D hydrogen: hydrogen

Conditions

Conditions	Yield
at 200 - 250℃;

...Expand

: 7647-01-0
hydrogenchloride

: 23208-27-7
B-dimethylborazole

A: 13061-96-6
dihydroxy-methyl-borane

B: ammonium chloride

C H3BO3: H3BO3

D hydrogen: hydrogen

Conditions

Conditions	Yield
at 200 - 250℃;

...Expand

: methyl-borane; compound with borane

water: water

A: 13061-96-6
dihydroxy-methyl-borane

B H3BO3: H3BO3

...Expand

: dimethyl-borane; compound with methylborane

water: water

A: 13061-96-6
dihydroxy-methyl-borane

B dimethylboronynoic acid: dimethylboronynoic acid

C hydrogen: hydrogen

...Expand

: 502622-26-6
dimethylsulfoxonium methylide*borane

: 7732-18-5
water

: 13061-96-6
dihydroxy-methyl-borane

Conditions

Conditions	Yield
In neat (no solvent) holding at room temp. in screw-cap vials, crystn. near the cap; identification by single-crystal X-ray analysis;

: 917-64-6
methyl magnesium iodide

: 121-43-7
Trimethyl borate

A: 593-90-8
trimethylborane

B: 13061-96-6
dihydroxy-methyl-borane

Conditions

Conditions	Yield
In diethyl ether
In diethyl ether

...Expand

: 23777-55-1
methyl diborane

A: 13061-97-7
hydroxy-dimethyl-borane

B: 13061-96-6
dihydroxy-methyl-borane

C: 11113-50-1
boric acid

Conditions

Conditions	Yield
With water byproducts: H2; at room temp.;
With H2O byproducts: H2; at room temp.;

...Expand

: 23777-55-1
methyl diborane

A: 13061-96-6
dihydroxy-methyl-borane

B: 11113-50-1
boric acid

Conditions

Conditions	Yield
With water hydrolysis;;
With H2O hydrolysis;;

: 16924-32-6
1.1-dimethyl borane(6)

A: 13061-97-7
hydroxy-dimethyl-borane

B: 13061-96-6
dihydroxy-methyl-borane

C: 11113-50-1
boric acid

Conditions

Conditions	Yield
With water byproducts: H2; at room temp.;
With H2O byproducts: H2; at room temp.;

...Expand

: 20436-23-1, 17156-88-6, 6808-37-3
dimethyldiborane

A: 13061-97-7
hydroxy-dimethyl-borane

B: 13061-96-6
dihydroxy-methyl-borane

C: 11113-50-1
boric acid

Conditions

Conditions	Yield
With water byproducts: H2; at room temp.;
With H2O byproducts: H2; at room temp.;

...Expand

: 21127-95-7
2-methyl-borazine

A: 13061-96-6
dihydroxy-methyl-borane

B: 7664-41-7
ammonia

C: 11113-50-1
boric acid

Conditions

Conditions	Yield
With hydrogenchloride; water byproducts: H2; at 200-250°C for 6 h with 20% aq. HCl;
With H2O; HCl byproducts: H2; at 200-250°C for 6 h with 20% aq. HCl;

...Expand

: 21482-59-7
tetramethyl diborane

A: 13061-97-7
hydroxy-dimethyl-borane

B: 13061-96-6
dihydroxy-methyl-borane

C: 11113-50-1
boric acid

Conditions

Conditions	Yield
With water byproducts: H2; at room temp.;
With H2O byproducts: H2; at room temp.;

...Expand

: 21107-27-7
trimethyldiborane(6)

A: 13061-97-7
hydroxy-dimethyl-borane

B: 13061-96-6
dihydroxy-methyl-borane

Conditions

Conditions	Yield
With water byproducts: H2;
With H2O byproducts: H2;

: 21107-27-7
trimethyldiborane(6)

A: 13061-97-7
hydroxy-dimethyl-borane

B: 13061-96-6
dihydroxy-methyl-borane

C: 11113-50-1
boric acid

Conditions

Conditions	Yield
With water byproducts: H2; at room temp.;
With H2O byproducts: H2; at room temp.;

...Expand

: 23208-27-7
B-dimethylborazole

A: 13061-96-6
dihydroxy-methyl-borane

B: 7664-41-7
ammonia

C: 11113-50-1
boric acid

Conditions

Conditions	Yield
With hydrogenchloride; water byproducts: H2; at 200-250°C for 6 h with 20% aq. HCl;
With H2O; HCl byproducts: H2; at 200-250°C for 6 h with 20% aq. HCl;

...Expand

: 5314-85-2
2,4,6-Trimethyl-[1,3,5,2,4,6]triazatriborinane

A: 13061-96-6
dihydroxy-methyl-borane

B: 7664-41-7
ammonia

C: 11113-50-1
boric acid

Conditions

Conditions	Yield
With hydrogenchloride; water byproducts: H2; at 200-250°C for 6 h with 20% aq. HCl;
With H2O; HCl byproducts: H2; at 200-250°C for 6 h with 20% aq. HCl;

...Expand

: N-B,B'-trimethylborazole

A: 13061-96-6
dihydroxy-methyl-borane

B: 11113-50-1
boric acid

Conditions

Conditions	Yield
With hydrogenchloride; water byproducts: NH3, CH3NH2, H2; by heating;
With HCl; H2O byproducts: NH3, CH3NH2, H2; by heating;

: 691857-51-9
ethyl 2-(4-fluorophenyl)-6-nitro-5-(trifluoromethylsulfonyloxy)benzofuran-3-carboxylate

: 13061-96-6
dihydroxy-methyl-borane

: 1378428-85-3
ethyl 2-(4-fluorophenyl)-5-methyl-6-nitro-1-benzofuran-3-carboxylate

Conditions

Conditions	Yield
With potassium fluoride; sodium bromide; tetrakis(triphenylphosphine) palladium(0) In water; toluene for 25h; Inert atmosphere; Reflux;	100%

: 13061-96-6
dihydroxy-methyl-borane

: (S)-3-bromo-2,6-difluoro-N-(thiazol-4-yl)-4-((1-((6-(trifluoromethyl)pyridin-2-yl)methyl)pyrrolidin-3-yl)amino)benzenesulfonamide

: (S)-2,6-difluoro-3-methyl-N-(thiazol-4-yl)-4-((1-((6-(trifluoromethyl)pyridin-2-yl)methyl)pyrrolidin-3-yl)amino)benzenesulfonamide

Conditions

Conditions	Yield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane for 12h; Inert atmosphere; Reflux;	100%

: 13061-96-6
dihydroxy-methyl-borane

: ethyl 9'-(benzyloxy)-10'-bromo-2'-oxo-2',7'-dihydrospiro[cyclohexane-1,6'pyrido[2,1-a]isoquinoline]-3'-carboxylate

: ethyl 9'-(benzyloxy)-10'-methyl-2'-oxo-2',7'dihydrospiro[cyclohexane-1,6'-pyrido[2,1-a]isoquinoline]-3'-carboxylate

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In water; toluene at 85℃; for 6h;	100%

: 13061-96-6
dihydroxy-methyl-borane

: tert-butyl ((5-chloro-2-fluoro-4-((6-fluoro-2-((isopropyl(methyl)amino)methyl)-3-methoxybenzyl)amino)phenyl)sulfonyl)(thiazol-4-yl)carbamate

: tert-butyl ((2-fluoro-4-((6-fluoro-2-((isopropyl(methyl)amino)methyl)-3-methoxybenzyl)amino)-5-methylphenyl)sulfonyl)(thiazol-4-yl)carbamate

Conditions

Conditions	Yield
Stage #1: dihydroxy-methyl-borane; tert-butyl ((5-chloro-2-fluoro-4-((6-fluoro-2-((isopropyl(methyl)amino)methyl)-3-methoxybenzyl)amino)phenyl)sulfonyl)(thiazol-4-yl)carbamate With potassium phosphate In 1,4-dioxane for 0.333333h; Suzuki-Miyaura Coupling; Inert atmosphere; Stage #2: With palladium diacetate; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 105℃;	100%

: 13061-96-6
dihydroxy-methyl-borane

: tert-butyl 2-bromo-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoate

: tert-butyl 6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoate

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In 2-methyltetrahydrofuran at 80℃; for 1h;	100%
Stage #1: dihydroxy-methyl-borane; tert-butyl 2-bromo-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoate With caesium carbonate In 2-methyltetrahydrofuran for 0.5h; Inert atmosphere; Stage #2: With (bis-(2-methoxyethyl)amino)sulfur trufluoride In 2-methyltetrahydrofuran at 80℃; for 1h;	100%

: 13061-96-6
dihydroxy-methyl-borane

: (1-bromo-4-hydroxy-7-phenoxyisoquinoline-3-carbonyl)glycine methyl ester

: [(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)-amino]-acetic acid

Conditions

Conditions	Yield
With potassium dihydrogenphosphate; tetrakis(triphenylphosphine) palladium(0) In ethanol; water at 100℃; for 16h; Inert atmosphere;	100%
With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; water In 2-methoxy-ethanol at 110℃; for 4h;	91%

: 13061-96-6
dihydroxy-methyl-borane

: C20H28INO2

: (S)-(3-ethyl-3-pentyl-2,3-dihydrobenzofuran-6-yl)(piperidin-1-yl)methanone

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); (R)-N-((S)-(3,5-di-tert-butyl-4-methoxyphenyl)(2-(dicyclohexylphosphanyl)phenyl)methyl)-N,2-dimethylpropane-2-sulfinamide; potassium hydroxide In toluene at 20 - 85℃; Inert atmosphere; Sealed tube; enantioselective reaction;	99.2%

: 13061-96-6
dihydroxy-methyl-borane

: 716-53-0
9-chloroanthracene

: 779-02-2
9-methylanthracene

Conditions

Conditions	Yield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; palladium diacetate In tetrahydrofuran; toluene at 100℃; for 24h; Suzuki-Miyaura reaction;	99%

: 867380-21-0
2-(3-chloro-8-methyl-azulen-5-yl)-propionic acid methyl ester

: 13061-96-6
dihydroxy-methyl-borane

: 111415-94-2
2-(3,8-Dimethyl-azulen-5-yl)-propionic acid methyl ester

Conditions

Conditions	Yield
With palladium diacetate; potassium phosphate In toluene at 100℃; for 24h;	99%

: 13061-96-6
dihydroxy-methyl-borane

: 111562-32-4
5-(2-aminophenyl)-1H-pyrazole

: 1350934-17-6
5-methyl-5,6-dihydrobenzo[e]pyrazolo[1,5-c][1,3,2]diazaborinine

Conditions

Conditions	Yield
In toluene for 1h; Inert atmosphere; Dean-Stark; Reflux;	99%
In toluene for 1h; Inert atmosphere; Reflux;	89%

: 13061-96-6
dihydroxy-methyl-borane

: 1628799-95-0
2-formyl-4,6-dimethylphenyl trifluoromethanesulfonate

: 5779-71-5
2,3,5-trimethylbenzaldehyde

Conditions

Conditions	Yield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate In tetrahydrofuran; water Suzuki Coupling; Reflux;	99%

: 13061-96-6
dihydroxy-methyl-borane

: 1403381-95-2
2-formyl-3,6-dimethylphenyl trifluoromethanesulfonate

: 34341-29-2
2,3,6-trimethylbenzaldehyde

Conditions

Conditions	Yield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate In tetrahydrofuran; water Suzuki Coupling; Reflux;	99%
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate In tetrahydrofuran; water Suzuki Coupling; Enzymatic reaction;	93%

: 13061-96-6
dihydroxy-methyl-borane

: 4408-64-4
N-methyliminodiacetic acid

: 2,6-dimethyl-1,3,6,2-dioxazaborocane-4,8-dione

Conditions

Conditions	Yield
In acetonitrile at 130℃; under 12929 Torr; for 0.0833333h; Solvent; Microwave irradiation;	99%

: 13061-96-6
dihydroxy-methyl-borane

: 1310708-89-4
3-methyl-1-(pyrimidin-2-yl)-1H-indole

: 2,3-dimethyl-1-(pyrimidin-2-yl)-1H-indole

Conditions

Conditions	Yield
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; silver carbonate In neat (no solvent) at 46℃; for 1h; Milling; regioselective reaction;	99%
With potassium fluoride; palladium diacetate; silver carbonate; p-benzoquinone In tert-Amyl alcohol at 110℃; for 6h; Sealed tube; regioselective reaction;	95%

: 13061-96-6
dihydroxy-methyl-borane

: ethyl 7-bromo-1-methyl-1H-indole-5-carboxylate

: ethyl 1,7-dimethyl-1H-indole-5-carboxylate

Conditions

Conditions	Yield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; palladium diacetate In toluene at 100℃; for 3h; Inert atmosphere;	99%

: 13061-96-6
dihydroxy-methyl-borane

: (4S,5S)-2-{(1S,3S,4S,5R,6S)-1-chlor-5-(benzyloxy)-3-[(4-methoxybenzyl)oxy]-4,6-dimethyloctyl}-4,5-dicyclohexyl-1,3,2-dioxaborolane

A: (3S,4S,5R,6S)-5-(benzyloxy)-3-[(4-methoxybenzyl)oxy]-4,6-dimethyloctanal

B: 159701-90-3

Conditions

Conditions	Yield
Stage #1: (4S,5S)-2-{(1S,3S,4S,5R,6S)-1-chlor-5-(benzyloxy)-3-[(4-methoxybenzyl)oxy]-4,6-dimethyloctyl}-4,5-dicyclohexyl-1,3,2-dioxaborolane With dihydrogen peroxide; sodium carbonate In tetrahydrofuran; water at 20℃; for 24h; Stage #2: With Sodium thiosulfate pentahydrate; sodium iodide In tetrahydrofuran; water for 0.5h; Stage #3: dihydroxy-methyl-borane With magnesium sulfate at 20℃; for 19h;	A 64% B 99%

Yield

Stage #1: (4S,5S)-2-{(1S,3S,4S,5R,6S)-1-chlor-5-(benzyloxy)-3-[(4-methoxybenzyl)oxy]-4,6-dimethyloctyl}-4,5-dicyclohexyl-1,3,2-dioxaborolane With dihydrogen peroxide; sodium carbonate In tetrahydrofuran; water at 20℃; for 24h;
Stage #2: With Sodium thiosulfate pentahydrate; sodium iodide In tetrahydrofuran; water for 0.5h;
Stage #3: dihydroxy-methyl-borane With magnesium sulfate at 20℃; for 19h;

A 64%
B 99%

...Expand

: 13061-96-6
dihydroxy-methyl-borane

: (Z)-N'-hydroxy-N-(4-sulfamoylphenyl)benzimidamide

: 4-(5-methyl-3-phenyl-1,2,4,5-oxadiazaborol-4(5H)-yl)benzenesulfonamide

Conditions

Conditions	Yield
In toluene at 110℃; for 1h; Molecular sieve; Inert atmosphere; Sealed tube;	99%

: 13061-96-6
dihydroxy-methyl-borane

: 672-92-4
1,1',1''‐nitrilotris(propan‐2‐one)trioxime

: 100-39-0
benzyl bromide

: C17H25BN4O3

Conditions

Conditions	Yield
Stage #1: dihydroxy-methyl-borane; 1,1',1''‐nitrilotris(propan‐2‐one)trioxime; benzyl bromide In methanol at 20℃; for 20h; Stage #2: With lithium carbonate In methanol at 20℃; for 4h;	99%

...Expand

: 13061-96-6
dihydroxy-methyl-borane

: (R)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine hydrochloride

: 1158974-93-6
(R)-(1-amino-3-methylbutyl)boronic acid hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In water; acetone at 20℃;	99%

: 269409-73-6
3-carboxyphenylboronic acid pinacol ester

: 13061-96-6
dihydroxy-methyl-borane

: 25487-66-5
3-Carboxyphenylboronic acid

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 20℃;	99%

: 13061-96-6
dihydroxy-methyl-borane

: 1218790-99-8
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine hydrochloride

: piperidin-4-ylboronic acid hydrochloride

Conditions

Conditions	Yield
Stage #1: dihydroxy-methyl-borane; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine hydrochloride With trifluoroacetic acid In dichloromethane at 20℃; Stage #2: With hydrogenchloride In water at 20℃;	99%

: 13061-96-6
dihydroxy-methyl-borane

: 134-85-0
4-chlorobenzophenone

: 134-84-9
4-Methylbenzophenone

Conditions

Conditions	Yield
With potassium phosphate; tris-(dibenzylideneacetone)dipalladium(0); 3-(dicyclohexylphosphino)-2-(2,6-dimethoxyphenyl)-1-methyl-1H-indole In 1,4-dioxane at 100℃; for 6h; Suzuki-Miyaura Coupling; Schlenk technique; Sealed tube; Inert atmosphere;	99%

: 13061-96-6
dihydroxy-methyl-borane

: C40H27AgBr2N4

: 3,17-dimethyl-meso-tris(p-tolylcorrolato)silver(III)

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In toluene at 90℃; for 18h; Suzuki Coupling; Inert atmosphere;	99%

: 867380-15-2
1-chloro-4-methyl-azulene

: 13061-96-6
dihydroxy-methyl-borane

: 1127-69-1
1,4-dimethylazulene

Conditions

Conditions	Yield
With palladium diacetate; potassium phosphate In toluene at 100℃; for 24h;	98%

: methyl 3-chloro-4-fluoro-5-methoxybenzoate

: 13061-96-6
dihydroxy-methyl-borane

: 4-fluoro-3-methoxy-5-methylbenzoate

Conditions

Conditions	Yield
With potassium phosphate; palladium diacetate; phosphine ligand In tetrahydrofuran; water; toluene at 100℃; for 0.166667h; microwave irradiation;	98%

: 13061-96-6
dihydroxy-methyl-borane

: 1446202-04-5
C20H30Br2N2O2S

: 1446202-05-6
C22H36N2O2S

Conditions

Conditions	Yield
With potassium fluoride; tri-tert-butyl phosphine; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 20℃; for 11h; Reflux; Inert atmosphere;	98%

: 13061-96-6
dihydroxy-methyl-borane

: (S)-5-chloro-2-fluoro-4-((1-(pyridin-2-ylmethyl)pyrrolidin-3-yl)amino)-N-(thiazol-4-yl)benzenesulfonamide 2,2,2-trifluoroacetate

: (S)-2-fluoro-5-methyl-4-((1-(pyridin-2-ylmethyl)pyrrolidin-3-yl)amino)-N-(thiazol-4-yl)benzenesulfonamide

Conditions

Conditions	Yield
With potassium phosphate; palladium diacetate; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane for 4h; Inert atmosphere; Reflux;	98%

: 13061-96-6
dihydroxy-methyl-borane

: 210907-84-9
3-aminophenylboronic acid pinacolate

: 3-aminophenylboronic acid hydrochloric salt

Conditions

Conditions	Yield
Stage #1: dihydroxy-methyl-borane; 3-aminophenylboronic acid pinacolate With trifluoroacetic acid In dichloromethane at 20℃; Stage #2: With hydrogenchloride In water at 20℃; Reagent/catalyst; Temperature; Solvent;	98%

: 13061-96-6
dihydroxy-methyl-borane

: tert-butyl 2-bromo-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoate

: tert-butyl 2-methyl-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoate

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In 1,4-dioxane; water at 120℃; for 0.5h; Inert atmosphere; Sealed tube; Microwave irradiation;	98%

: 13061-96-6
dihydroxy-methyl-borane

: 1210419-44-5
methyl 6-(2,6-difluoro-3-(trifluoromethyl-sulfonyloxy)phenyl)-5-fluoropicolinate

: 1210419-49-0
6-(2,6-difluoro-3-methylphenyl)-5-fluoropicolinic acid

Conditions

Conditions	Yield
With potassium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 100℃; for 3h; Inert atmosphere;	97%

Methylboronic acid Specification

Methylboronic acid is an organic compound with the formula CH₅BO₂, and its systematic name is the same with the product name. With the CAS registry number 13061-96-6, it is also named as Methaneboronic acid. It belongs to the product categories of Substituted Boronic Acids; API intermediates; Boronic acid; Organoborons; Chiral Chemicals; Alkyl. In addition, the molecular weight is 59.86. It is used as boron compounds intermediates in organic synthesis. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides, bases heat and air.

Physical properties of Methylboronic acid are: (1)ACD/LogP: -0.212; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.21; (4)ACD/LogD (pH 7.4): -0.21; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 18.27; (8)ACD/KOC (pH 7.4): 18.22; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.345; (14)Molar Refractivity: 13.181 cm³; (15)Molar Volume: 62.004 cm³; (16)Polarizability: 5.225×10^-24cm³; (17)Surface Tension: 27.77 dyne/cm; (18)Density: 0.965 g/cm³; (19)Flash Point: 39.526 °C; (20)Enthalpy of Vaporization: 44.145 kJ/mol; (21)Boiling Point: 141.745 °C at 760 mmHg; (22)Vapour Pressure: 2.35 mmHg at 25°C.

Uses of Methylboronic acid: it can be used to produce 2,4-dichloro-6-methyl-pyridin-3-ylamine at the temperature of 100 °C. It will need reagents K₂CO₃, Pd(PPh₃)₂Cl₂ and solvent dimethylformamide with the reaction time of 24 hours. The yield is about 85%.

Methylboronic acid can be used to produce 2,4-dichloro-6-methyl-pyridin-3-ylamine at the temperature of 100 °C

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)C
(2)Std. InChI: InChI=1S/CH5BO2/c1-2(3)4/h3-4H,1H3
(3)Std. InChIKey: KTMKRRPZPWUYKK-UHFFFAOYSA-N

Product Name

Methylboronic acid

Synthetic route

Methylboronic acid Specification

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