Product Name

  • Name

    BETA-HYDROXYISOVALERIC ACID

  • EINECS 626-699-8
  • CAS No. 625-08-1
  • Article Data42
  • CAS DataBase
  • Density 1.144 g/cm3
  • Solubility Soluble in water and ethanol.
  • Melting Point -80 °C(lit.)
  • Formula C5H10O3
  • Boiling Point 242.8 °C at 760 mmHg
  • Molecular Weight 118.133
  • Flash Point 114.9 °C
  • Transport Information
  • Appearance colorless to light yellow liquid
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 625-08-1 (BETA-HYDROXYISOVALERIC ACID)
  • Hazard Symbols IrritantXi
  • Synonyms b-Hydroxyisovaleric acid;b-Hydroxy-b-methylbutyric acid;3-Hydroxy-3-methylbutyric acid;3-Hydroxyisovaleric acid;3-Hydroxy-3-methylbutanoic acid;Butyricacid, 3-hydroxy-3-methyl- (6CI,7CI,8CI);
  • PSA 57.53000
  • LogP 0.23200

Synthetic route

ethyl 3-hydroxy-3-methylbutanoate
18267-36-2

ethyl 3-hydroxy-3-methylbutanoate

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
With water; sodium hydroxide at 20℃;93%
With sodium hydroxide In water at 20℃;93%
6,6-dimethyl-4-oxo-2-phenyl-[1,3]oxazinane-3-carboxylic acid tert-butyl ester

6,6-dimethyl-4-oxo-2-phenyl-[1,3]oxazinane-3-carboxylic acid tert-butyl ester

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
With lithium hydroxide; water In ethanol at 20℃; for 3h; Hydrolysis;91%
C11H16NO2(1+)*I(1-)

C11H16NO2(1+)*I(1-)

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
Stage #1: C11H16NO2(1+)*I(1-) With sodium hydroxide In water at 90℃; for 1h;
Stage #2: With hydrogenchloride In water		54%
C11H16NO2(1+)*Cl(1-)

C11H16NO2(1+)*Cl(1-)

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
Stage #1: C11H16NO2(1+)*Cl(1-) With sodium hydroxide In water at 90℃; for 1h;
Stage #2: With hydrogenchloride In water		41%
3-hydroxy-3-methylbutyronitrile
13635-04-6

3-hydroxy-3-methylbutyronitrile

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
With water In aq. phosphate buffer at 37℃; for 24h; Reagent/catalyst; Enzymatic reaction;26%
4,4-dimethyloxetan-2-one
1823-52-5

4,4-dimethyloxetan-2-one

A

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

B

isobutene
115-11-7

isobutene

Conditions
ConditionsYield
With water
3-methylbutyric acid
503-74-2

3-methylbutyric acid

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
With alkaline permanganate
2-methylpent-4-en-2-ol
624-97-5

2-methylpent-4-en-2-ol

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
With permanganate(VII) ion
With chromic acid
chloroform
67-66-3

chloroform

5-acetoxy-5-methyl-hex-1-en-3-one
873380-25-7

5-acetoxy-5-methyl-hex-1-en-3-one

A

formic acid
64-18-6

formic acid

B

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

C

acetic acid
64-19-7

acetic acid

Conditions
ConditionsYield
beim Ozonisieren und Zersetzen des Ozonids mit H2O2;
...Expand
(±)-4-methyl-1,2,4-pentanetriol
871888-50-5

(±)-4-methyl-1,2,4-pentanetriol

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
With permanganate(VII) ion
4-Hydroxy-4-methyl-2-pentanone
123-42-2

4-Hydroxy-4-methyl-2-pentanone

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
With sodium hypobromide
With 1,4-dioxane; alkaline aqueous sodium hypochlorite
With sodium hypochlorite
4-hydroxy-6-methyl-heptanoic acid

4-hydroxy-6-methyl-heptanoic acid

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
With permanganate(VII) ion in alkalischer Loesung;
tert-butyl 3-hydroxy-3-methylbutyrate
5292-12-6

tert-butyl 3-hydroxy-3-methylbutyrate

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
With 1,4-dioxane; hydrogenchloride
ethyl acetate
141-78-6

ethyl acetate

acetone
67-64-1

acetone

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
With potassium hydroxide; diethyl ether
chloroacetic acid ethyl ester
105-39-5

chloroacetic acid ethyl ester

acetone
67-64-1

acetone

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
With zinc Zersetzen des Reaktionsprodukts mit verduennter Schwefelsaeure und Verseifen des entstehenden Aethylesters mit waessr.Kalilauge;
acetone
67-64-1

acetone

ethyl iodoacetae
623-48-3

ethyl iodoacetae

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
With zinc Zersetzen des Reaktionsprodukts mit verduennter Schwefelsaeure und Verseifen des entstehenden Aethylesters mit waessr.Kalilauge;
4-hydroxy-4-methyl-2-oxo-pentanal
10435-98-0

4-hydroxy-4-methyl-2-oxo-pentanal

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
With dihydrogen peroxide
bromoacetic acid tert-butyl ester
5292-43-3

bromoacetic acid tert-butyl ester

acetone
67-64-1

acetone

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
(i) Zn, I2, (ii) (hydrolysis); Multistep reaction;
lithium α-lithioacetate
94953-76-1

lithium α-lithioacetate

acetone
67-64-1

acetone

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

2-methyl-1-buten-4-ol
763-32-6

2-methyl-1-buten-4-ol

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
With nitric acid; sodium nitrite 1) 20 deg C, 4 h, 2) 50-60 deg C, 4 h; Yield given. Multistep reaction;
4-methyl-2-oxopentanoic acid
816-66-0

4-methyl-2-oxopentanoic acid

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
With oxygen; iron(III); ascorbic acid; diothiothreitol
4-isobutyl-γ-butyrolactone
18432-37-6

4-isobutyl-γ-butyrolactone

KOH-solution

KOH-solution

potassium permanganate

potassium permanganate

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

...Expand
4,4-dimethyloxetan-2-one
1823-52-5

4,4-dimethyloxetan-2-one

water
7732-18-5

water

A

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

B

isobutene
115-11-7

isobutene

...Expand
diethyl ether
60-29-7

diethyl ether

ethyl acetate
141-78-6

ethyl acetate

acetone
67-64-1

acetone

KOH

KOH

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
anfangs unter Eiskuehlung und Verseifen mit alkoh. KOH;
...Expand
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

KMnO4

KMnO4

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

2-methylpent-4-en-2-ol
624-97-5

2-methylpent-4-en-2-ol

chamaeleon solution

chamaeleon solution

A

formic acid
64-18-6

formic acid

B

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

C

oxalic acid
144-62-7

oxalic acid

...Expand
2-methylpent-4-en-2-ol
624-97-5

2-methylpent-4-en-2-ol

chromic acid solution

chromic acid solution

A

formic acid
64-18-6

formic acid

B

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

C

acetone
67-64-1

acetone

...Expand
perchloric acid
7601-90-3

perchloric acid

3-Methylbutenoic acid
541-47-9

3-Methylbutenoic acid

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
at 82.4℃; Kinetics;
at 99.8℃; Kinetics;
at 111.8℃; Kinetics;
3-Methylbutenoic acid
541-47-9

3-Methylbutenoic acid

aqueous NaClO4

aqueous NaClO4

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Conditions
ConditionsYield
at 82.4℃; Kinetics;
at 99.8℃; Kinetics;
at 111.8℃; Kinetics;
ethyl 4-amino-3-O-benzyl-4,6-dideoxy-2-O-methyl-1-thio-β-D-glucopyranoside
861819-35-4

ethyl 4-amino-3-O-benzyl-4,6-dideoxy-2-O-methyl-1-thio-β-D-glucopyranoside

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

ethyl 3-O-benzyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-1-thio-β-D-glucopyranoside
861819-36-5

ethyl 3-O-benzyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-1-thio-β-D-glucopyranoside

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃; for 1h;100%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

3,5-dimethylaminoaniline
108-69-0

3,5-dimethylaminoaniline

C13H19NO2

C13H19NO2

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 14h;100%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

4-bromodeacetyl colchicine

4-bromodeacetyl colchicine

4-bromo-N-(3-hydroxy-3-methylbutyryl)deacetyl colchicine

4-bromo-N-(3-hydroxy-3-methylbutyryl)deacetyl colchicine

Conditions
ConditionsYield
Stage #1: 3-Hydroxy-3-methylbutyric acid With 1-hydroxybenzotriazol-hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 0.5h;
Stage #2: 4-bromodeacetyl colchicine In N,N-dimethyl-formamide at 20℃;		98.4%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

(R)-benzyl 2-aminopropanoate hydrochloride
5557-81-3, 5557-83-5, 34404-37-0

(R)-benzyl 2-aminopropanoate hydrochloride

(R)-benzyl 2-(3-hydroxy-3-methylbutanamido)propanoate

(R)-benzyl 2-(3-hydroxy-3-methylbutanamido)propanoate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 0 - 20℃; for 1h;98%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

4-(6-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile dihydrochloride

4-(6-(4,7-diazaspiro[2.5]octan-7-yl)pyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile dihydrochloride

4-(6-(4-(3-hydroxy-3-methylbutanoyl)-4,7-diazaspiro[2.5]octan-7-yl)pyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(6-(4-(3-hydroxy-3-methylbutanoyl)-4,7-diazaspiro[2.5]octan-7-yl)pyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

Conditions
ConditionsYield
With 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 48h;98%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

2-methoxy-phenylamine
90-04-0

2-methoxy-phenylamine

C12H17NO3

C12H17NO3

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 14h;98%
5-methoxycarbonylpentyl 4-amino-3-O-benzyl-4,6-dideoxy-2-O-methyl-β-D-glucopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranosyl-(1->2)-3,4-di-O-benzyl-α-L-rhamnopyranoside

5-methoxycarbonylpentyl 4-amino-3-O-benzyl-4,6-dideoxy-2-O-methyl-β-D-glucopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranosyl-(1->2)-3,4-di-O-benzyl-α-L-rhamnopyranoside

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

5-methoxycarbonylpentyl 3-O-benzyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutyramido)-2-O-methyl-β-D-glucopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranosyl-(1->2)-3,4-di-O-benzyl-α-L-rhamnopyranoside

5-methoxycarbonylpentyl 3-O-benzyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutyramido)-2-O-methyl-β-D-glucopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranosyl-(1->2)-3,4-di-O-benzyl-α-L-rhamnopyranoside

Conditions
ConditionsYield
With N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃; for 1h;97%
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃; for 1h;97%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

C89H71F102N9O8

C89H71F102N9O8

C94H79F102N9O10

C94H79F102N9O10

Conditions
ConditionsYield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h;96%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

Ν,Ν',Ν''-[boroxin-2,4,6-triyltris[[(1R)-3-methylbutane-1,1-diyl]imino(2-oxoethane-2,1-diyl)]]tris(2,5-dichlorobenzamide)
1201903-03-8

Ν,Ν',Ν''-[boroxin-2,4,6-triyltris[[(1R)-3-methylbutane-1,1-diyl]imino(2-oxoethane-2,1-diyl)]]tris(2,5-dichlorobenzamide)

2,5-dichloro-N-(2-{[(1R)-1-(4,4-dimethyl-6-oxo-1,3,2-dioxaborinan-2-yl)-3-methylbutyl]amino}-2-oxoethyl)benzamide
1201902-88-6

2,5-dichloro-N-(2-{[(1R)-1-(4,4-dimethyl-6-oxo-1,3,2-dioxaborinan-2-yl)-3-methylbutyl]amino}-2-oxoethyl)benzamide

Conditions
ConditionsYield
In ethyl acetate at 25 - 60℃;95%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

C45H69NO17
1040140-55-3

C45H69NO17

C50H77NO19
1040140-56-4

C50H77NO19

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine In tetrahydrofuran for 10h;92%
5-methoxycarbonylpentyl 4-amino-3-O-benzyl-4,6-dideoxy-2-O-methyl-β-D-glucopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranoside

5-methoxycarbonylpentyl 4-amino-3-O-benzyl-4,6-dideoxy-2-O-methyl-β-D-glucopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranoside

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

5-methoxycarbonylpentyl 3-O-benzyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutyramido)-2-O-methyl-β-D-glucopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranoside

5-methoxycarbonylpentyl 3-O-benzyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutyramido)-2-O-methyl-β-D-glucopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranoside

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃; for 2h;90%
5-(4-(4-(5-amino-4-(benzyloxy)tetrahydro-3-methoxy-6-methyl-2H-pyran-2-yloxy)tetrahydro-3,5-dihydroxy-6-methyl-2H-pyran-2-yloxy)-3,5-dihydroxytetrahydro-6-methyl-2H-pyran-2-yloxy)-6-(benzyloxy)tetrahydro-2-methyl-2H-pyran-3,4-diol

5-(4-(4-(5-amino-4-(benzyloxy)tetrahydro-3-methoxy-6-methyl-2H-pyran-2-yloxy)tetrahydro-3,5-dihydroxy-6-methyl-2H-pyran-2-yloxy)-3,5-dihydroxytetrahydro-6-methyl-2H-pyran-2-yloxy)-6-(benzyloxy)tetrahydro-2-methyl-2H-pyran-3,4-diol

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

C44H65O18N

C44H65O18N

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine In tetrahydrofuran for 10h;90%
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine In tetrahydrofuran for 10h;90%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

(3aR,6aR)-5-[1-(2-fluorophenyl)-1H-indazol-4-yl]hexahydropyrrolo[3,4-b]pyrrol-6(1H)-one

(3aR,6aR)-5-[1-(2-fluorophenyl)-1H-indazol-4-yl]hexahydropyrrolo[3,4-b]pyrrol-6(1H)-one

(3aR,6aR)-5-[1-(2-fluorophenyl)-1H-indazol-4-yl]-1-(3-hydroxy-3-methylbutanoyl)hexahydropyrrolo[3,4-b]pyrrol-6-(1H)-one

(3aR,6aR)-5-[1-(2-fluorophenyl)-1H-indazol-4-yl]-1-(3-hydroxy-3-methylbutanoyl)hexahydropyrrolo[3,4-b]pyrrol-6-(1H)-one

Conditions
ConditionsYield
With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In acetonitrile for 2h;90%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

m-Anisidine
536-90-3

m-Anisidine

C12H17NO3

C12H17NO3

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 14h;90%
C81H99NO18

C81H99NO18

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

C86H107NO20

C86H107NO20

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃; for 1h;89%
With diazoacetic acid ethyl ester; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane73%
5-methoxycarbonylpentyl 4-amino-3-O-benzyl-4,6-dideoxy-2-O-methyl-β-D-glucopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranoside

5-methoxycarbonylpentyl 4-amino-3-O-benzyl-4,6-dideoxy-2-O-methyl-β-D-glucopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranoside

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

5-methoxycarbonylpentyl 3-O-benzyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutyramido)-2-O-methyl-β-D-glucopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranoside

5-methoxycarbonylpentyl 3-O-benzyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutyramido)-2-O-methyl-β-D-glucopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranosyl-(1->3)-2,4-di-O-benzyl-α-L-rhamnopyranoside

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃; for 2h;86%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

methyl 4-amino-4,6-dideoxy-2-O-methyl-β-D-glucopyranoside

methyl 4-amino-4,6-dideoxy-2-O-methyl-β-D-glucopyranoside

methyl 4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucopyranoside

methyl 4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucopyranoside

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃; for 0.333333h;85%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

methyl 3-O-(4-amino-3-O-benzyl-4,6-dideoxy-2-O-methyl-β-D-glucopyranosyl)-2,4-di-O-benzyl-1-thio-α-L-rhamnopyranoside
1149356-84-2

methyl 3-O-(4-amino-3-O-benzyl-4,6-dideoxy-2-O-methyl-β-D-glucopyranosyl)-2,4-di-O-benzyl-1-thio-α-L-rhamnopyranoside

methyl 2,4-di-O-benzyl-3-O-[3-O-benzyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucopyranosyl]-1-thio-α-L-rhamnopyranoside
1149356-85-3

methyl 2,4-di-O-benzyl-3-O-[3-O-benzyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucopyranosyl]-1-thio-α-L-rhamnopyranoside

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; HATU In dichloromethane at 20℃; for 1.5h;85%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

1-Amino-2-methyl-propan-2-ol
2854-16-2

1-Amino-2-methyl-propan-2-ol

Conditions
ConditionsYield
Stage #1: 3-Hydroxy-3-methylbutyric acid With 4-methyl-morpholine; diphenyl phosphoryl azide In tetrahydrofuran at 25℃; for 2.25h; Curtius Rearrangement;
Stage #2: With water In tetrahydrofuran for 2h; Reagent/catalyst; Reflux;		85%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

aniline
62-53-3

aniline

β-hydroxy-isovaleric acid anilide
99985-75-8

β-hydroxy-isovaleric acid anilide

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 14h;85%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

C65H70N2O18

C65H70N2O18

N-benzyloxycarbonylaminoethyl 4-(3-hydroxy-3-methylbutamido)-2-O-acetyl-3-O-benzoyl-4,6-dideoxy-β-D-glucopyranosyl-(1->3)-2-O-benzoyl-4-O-benzyl-α-D-rhamnopyranosyl-(1->3)-2-O-benzoyl-4-O-benzyl-α-D-rhamnopyranoside
1206451-89-9

N-benzyloxycarbonylaminoethyl 4-(3-hydroxy-3-methylbutamido)-2-O-acetyl-3-O-benzoyl-4,6-dideoxy-β-D-glucopyranosyl-(1->3)-2-O-benzoyl-4-O-benzyl-α-D-rhamnopyranosyl-(1->3)-2-O-benzoyl-4-O-benzyl-α-D-rhamnopyranoside

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; HATU In dichloromethane at 20℃; for 18h; Inert atmosphere;82%
ethanol
64-17-5

ethanol

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

ethyl 3-hydroxy-3-methylbutanoate
18267-36-2

ethyl 3-hydroxy-3-methylbutanoate

Conditions
ConditionsYield
With toluene-4-sulfonic acid In cyclohexane at 85℃; for 5h; Reagent/catalyst; Solvent; Molecular sieve;80%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

6-(1-methyl-1H-pyrazol-4-yl)-4-(6-(piperazin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(1-methyl-1H-pyrazol-4-yl)-4-(6-(piperazin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(6-(4-(3-hydroxy-3-methylbutanoyl)piperazin-1-yl)pyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(6-(4-(3-hydroxy-3-methylbutanoyl)piperazin-1-yl)pyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃;80%
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

methyl 4-amino-4,6-dideoxy-2-O-methyl-α-D-glucopyranoside
861819-29-6

methyl 4-amino-4,6-dideoxy-2-O-methyl-α-D-glucopyranoside

methyl 4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-α-D-glucopyranoside

methyl 4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-α-D-glucopyranoside

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃; for 0.5h;79%
C64H72N2O16

C64H72N2O16

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

3-[(N-benzyloxycarbonyl)amino]propyl-O-(4-(3-hydroxy-3-methylbutanamido)-3-O-benzyl-4,6-dideoxy-β-D-glucopyranosyl)-(1->3)-O-(2-O-benzoyl-4-O-benzyl-α-L-rhamnopyranosyl)-(1->3)-2-O-benzoyl-4-O-benzyl-α-L-rhamnopyranoside
927680-52-2

3-[(N-benzyloxycarbonyl)amino]propyl-O-(4-(3-hydroxy-3-methylbutanamido)-3-O-benzyl-4,6-dideoxy-β-D-glucopyranosyl)-(1->3)-O-(2-O-benzoyl-4-O-benzyl-α-L-rhamnopyranosyl)-(1->3)-2-O-benzoyl-4-O-benzyl-α-L-rhamnopyranoside

Conditions
ConditionsYield
With 1-hydroxy-7-aza-benzotriazole; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 4h;78%
5-methoxycarbonylpentyl 4-amino-2-O-benzoyl-3-O-benzyl-4,6-dideoxy-β-D-glucopyranosyl-(1->2)-(2,4-di-O-benzoyl-α-L-rhamnopyranosyl)-(1->3)-(2,4-di-O-benzyl-α-L-rhamnopyranosyl)-(1->2)-3,4-di-O-benzyl-α-L-rhamnopyranoside

5-methoxycarbonylpentyl 4-amino-2-O-benzoyl-3-O-benzyl-4,6-dideoxy-β-D-glucopyranosyl-(1->2)-(2,4-di-O-benzoyl-α-L-rhamnopyranosyl)-(1->3)-(2,4-di-O-benzyl-α-L-rhamnopyranosyl)-(1->2)-3,4-di-O-benzyl-α-L-rhamnopyranoside

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

5-methoxycarbonylpentyl 2-O-benzoyl-3-O-benzyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutyramino)-β-D-glucopyranosyl-(1->2)-(2,4-di-O-benzoyl-α-L-rhamnopyranosyl)-(1->3)-(2,4-di-O-benzyl-α-L-rhamnopyranosyl)-(1->2)-3,4-di-O-benzyl-α-L-rhamnopyranoside

5-methoxycarbonylpentyl 2-O-benzoyl-3-O-benzyl-4,6-dideoxy-4-(3-hydroxy-3-methylbutyramino)-β-D-glucopyranosyl-(1->2)-(2,4-di-O-benzoyl-α-L-rhamnopyranosyl)-(1->3)-(2,4-di-O-benzyl-α-L-rhamnopyranosyl)-(1->2)-3,4-di-O-benzyl-α-L-rhamnopyranoside

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃; for 2h;78%
5-(2-aminoethyl)-N-{3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine dihydrochloride

5-(2-aminoethyl)-N-{3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine dihydrochloride

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

TAK-285

TAK-285

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 20℃; for 72h;77%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 20℃; for 120h;
1-hydroxy-pyrrolidine-2,5-dione
6066-82-6

1-hydroxy-pyrrolidine-2,5-dione

3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

β-hydroxyisovaleric acid succinimidyl ester
1314864-92-0

β-hydroxyisovaleric acid succinimidyl ester

Conditions
ConditionsYield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 2h;77%

Beta-Hydroxyisovaleric acid Specification

The Beta-Hydroxyisovaleric acid, with CAS registry number 625-08-1, belongs to the following product category: Pharmaceutical Raw Materials. It has the systematic name of 3-hydroxy-3-methylbutanoic acid. This chemical is a kind of colorless to light yellow liquid. And it should be stored in the refrigerator. And the chemical formula of this chemical is C5H10O3.

Physical properties of Beta-Hydroxyisovaleric acid: (1)ACD/LogP: -0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.03; (4)ACD/LogD (pH 7.4): -3.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 28.27 cm3; (15)Molar Volume: 103.2 cm3; (16)Polarizability: 11.21×10-24cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.144 g/cm3; (19)Flash Point: 114.9 °C; (20)Enthalpy of Vaporization: 55.75 kJ/mol; (21)Boiling Point: 242.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00567 mmHg at 25°C.

Preparation: this chemical can be prepared by 6,6-dimethyl-4-oxo-2-phenyl-[1,3]oxazinane-3-carboxylic acid tert-butyl ester. This reaction will need reagents LiOH, H2O and solvent ethanol. The reaction time is 3 hour(s) with reaction temperature of 20 ℃. The yield is about 91%.

When you are using this chemical, please be cautious about it as the following:
The Beta-Hydroxyisovaleric acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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=C(O)CC(O)(C)C
(2)InChI: InChI=1/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
(3)InChIKey: AXFYFNCPONWUHW-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
(5)Std. InChIKey: AXFYFNCPONWUHW-UHFFFAOYSA-N

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