Product Name

  • Name

    2,2-Dimethylbutyric acid

  • EINECS 209-865-0
  • CAS No. 595-37-9
  • Article Data65
  • CAS DataBase
  • Density 0.95 g/cm3
  • Solubility
  • Melting Point -14°C
  • Formula C6H12O2
  • Boiling Point 187.3 °C at 760 mmHg
  • Molecular Weight 116.16
  • Flash Point 80.6 °C
  • Transport Information
  • Appearance white powder
  • Safety 26-36/37-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 595-37-9 (2,2-Dimethylbutyric acid)
  • Hazard Symbols IrritantXi
  • Synonyms Butyricacid, 2,2-dimethyl- (6CI,7CI,8CI);Butyric acid, a,a-dimethyl- (3CI);2,2-Dimethylbutanoic acid;NSC16045;NSC 741804;Neohexanoic acid;a,a-Dimethylbutanoic acid;a,a-Dimethylbutyric acid;Butanoic acid,2,2-dimethyl-;
  • PSA 37.30000
  • LogP 1.50720

Synthetic route

pivalolactone
1955-45-9

pivalolactone

Me2CuMgBr

Me2CuMgBr

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
In tetrahydrofuran 1.) -30 deg C, 1 h, 2.) 0 deg C, 1 h;91%
pivalolactone
1955-45-9

pivalolactone

methylmagnesium bromide
75-16-1

methylmagnesium bromide

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
copper(l) iodide In tetrahydrofuran at 0℃; for 0.25h;80%
2-methyl-2-butylchloride
594-36-5

2-methyl-2-butylchloride

carbon dioxide
124-38-9

carbon dioxide

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
Stage #1: 2-methyl-2-butylchloride With magnesium In tetrahydrofuran; toluene at 50 - 90℃; for 2h;
Stage #2: carbon dioxide In tetrahydrofuran; toluene at 35 - 45℃; for 1h;
Stage #3: With hydrogenchloride In tetrahydrofuran; water; toluene for 4h; Reflux;
72%
(i) Mg, THF, (ii) /BRN= 1900390/; Multistep reaction;
1-penten
109-67-1

1-penten

carbon monoxide
201230-82-2

carbon monoxide

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With Ph4(CO)12; sulfuric acid at 20℃; under 760.051 Torr; for 1h; Carbonylation;68%
With sulfuric acid; water at 20℃; under 760.051 Torr; Product distribution; Carbonylation; hydrolysis;70 % Chromat.
formic acid
64-18-6

formic acid

2-methyl-but-2-ene
513-35-9

2-methyl-but-2-ene

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With sulfuric acid; pentane anschliessend mit Eiswasser;
2,2-dimethylbutyraldehyde
2094-75-9

2,2-dimethylbutyraldehyde

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

2,2-dimethyl-but-3-enoic acid
10276-09-2

2,2-dimethyl-but-3-enoic acid

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With ethyl acetate; platinum Hydrogenation;
2,2-Dimethyl-1-butanol
1185-33-7

2,2-Dimethyl-1-butanol

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With chromium(III) oxide; sulfuric acid
Multi-step reaction with 2 steps
1: copper / 250 - 300 °C
View Scheme
2,2-dimethylbutanenitrile
20654-46-0

2,2-dimethylbutanenitrile

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With hydrogenchloride at 100 - 120℃;
(i) H2SO4, (ii) aq. NaNO2; Multistep reaction;
2,2-dimethyl-n-butyramide
102014-33-5

2,2-dimethyl-n-butyramide

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With nitrosylsulfuric acid; sulfuric acid
4,4-dimethyl-hexan-3-one
19550-14-2

4,4-dimethyl-hexan-3-one

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With potassium dichromate; sulfuric acid
With alkaline KMNO4
ethyl 2,2-dimethylbutanoate
5129-40-8

ethyl 2,2-dimethylbutanoate

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With hydrogen bromide at 180℃;
4,4-dimethyl-2-oxo-pentanoic acid
34906-87-1

4,4-dimethyl-2-oxo-pentanoic acid

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With sulfuric acid; dichromate anion
4-t-amylphenol
80-46-6

4-t-amylphenol

A

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

B

4,4-dimethyl-2-oxo-pentanoic acid
34906-87-1

4,4-dimethyl-2-oxo-pentanoic acid

Conditions
ConditionsYield
With potassium permanganate
1,1-dimethylpropylmagnesium chloride
28276-08-6

1,1-dimethylpropylmagnesium chloride

methylammonium carbonate
15719-64-9, 15719-76-3, 97762-63-5

methylammonium carbonate

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With diethyl ether
ethene
74-85-1

ethene

isobutyric Acid
79-31-2

isobutyric Acid

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With di-tert-butyl peroxide at 170℃; under 44130.5 Torr;
With oxygen; 1,2-di(benzylidene)hydrazine at 250℃; under 625182 - 720798 Torr;
ethene
74-85-1

ethene

isobutyric Acid
79-31-2

isobutyric Acid

benzaldehyde benzylidenehydrazone
28867-76-7

benzaldehyde benzylidenehydrazone

A

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

B

2,2-dimethylhexanoic acid
813-72-9

2,2-dimethylhexanoic acid

Conditions
ConditionsYield
at 250 - 275℃; under 147102 - 698732 Torr;
formic acid
64-18-6

formic acid

2-pentene
109-68-2

2-pentene

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With sulfuric acid; pentane anschliessend mit Eiswasser;
2-methyl-but-2-ene
513-35-9

2-methyl-but-2-ene

carbon monoxide
201230-82-2

carbon monoxide

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With boron trifluoride; water; propionic acid under 76000 Torr;
With water; silver trifluoromethanesulfonate In hexane at 150℃; under 37503 Torr; for 18h; Koch carbonylation;10 % Chromat.
ethene
74-85-1

ethene

isobutyric acid sodium salt
996-30-5

isobutyric acid sodium salt

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With sodium amide at 150 - 250℃;
pentan-1-ol
71-41-0

pentan-1-ol

carbon monoxide
201230-82-2

carbon monoxide

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With phosphoric acid
1-Heptene
592-76-7

1-Heptene

carbon monoxide
201230-82-2

carbon monoxide

A

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

B

2-methyl-2-ethylpentanoic acid
5343-52-2, 72335-48-9

2-methyl-2-ethylpentanoic acid

C

2,2-dimethyl-n-valeric acid
1185-39-3

2,2-dimethyl-n-valeric acid

D

2,2-dimethylhexanoic acid
813-72-9

2,2-dimethylhexanoic acid

E

Trimethylacetic acid
75-98-9

Trimethylacetic acid

Conditions
ConditionsYield
With sulfuric acid; silver(l) oxide at 30℃; under 760 Torr; for 4h; Product distribution; other catalyst;A 4 % Turnov.
B 25 % Turnov.
C 4 % Turnov.
D 66 % Turnov.
E 1 % Turnov.
3-methylbutyric acid
503-74-2

3-methylbutyric acid

carbon monoxide
201230-82-2

carbon monoxide

A

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

B

4-Methylpentanoic acid
646-07-1

4-Methylpentanoic acid

Conditions
ConditionsYield
With hydrogen; ruthenium(IV) oxide; methyl iodide at 220℃; under 205200 Torr; Yield given. Yields of byproduct given;
1-hexene
592-41-6

1-hexene

carbon monoxide
201230-82-2

carbon monoxide

A

2-methyl-2-ethylbutanoic acid
19889-37-3

2-methyl-2-ethylbutanoic acid

B

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

C

2-ethylvaleric acid
20225-24-5

2-ethylvaleric acid

D

2,2-dimethyl-n-valeric acid
1185-39-3

2,2-dimethyl-n-valeric acid

E

Trimethylacetic acid
75-98-9

Trimethylacetic acid

Conditions
ConditionsYield
With sulfuric acid; silver(l) oxide at 30℃; under 760 Torr; for 4h; Product distribution; other catalyst;A 23 % Turnov.
B 21 % Turnov.
C 7 % Turnov.
D 44 % Turnov.
E 5 % Turnov.
formic acid
64-18-6

formic acid

tert-Amyl alcohol
75-85-4

tert-Amyl alcohol

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With sulfuric acid 1.) acetic acid, 5 deg C, 3 min, 2.) 5 deg C, 3.0 h; Yield given. Multistep reaction;
n-hexan-2-ol
626-93-7

n-hexan-2-ol

carbon monoxide
201230-82-2

carbon monoxide

A

2-methyl-2-ethylbutanoic acid
19889-37-3

2-methyl-2-ethylbutanoic acid

B

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

C

2-ethylvaleric acid
20225-24-5

2-ethylvaleric acid

D

2-methylhexanoic acid
4536-23-6

2-methylhexanoic acid

E

2,2-dimethyl-n-valeric acid
1185-39-3

2,2-dimethyl-n-valeric acid

F

Trimethylacetic acid
75-98-9

Trimethylacetic acid

Conditions
ConditionsYield
With sulfuric acid; silver(l) oxide at 30℃; under 760 Torr; for 4h; Product distribution;A 34 % Turnov.
B 5 % Turnov.
C 9 % Turnov.
D 8 % Turnov.
E 43 % Turnov.
F 1 % Turnov.
poly(methacrylic acid)
79-41-4

poly(methacrylic acid)

ethene
74-85-1

ethene

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
Yield given. Multistep reaction;
1-penten
109-67-1

1-penten

carbon monoxide
201230-82-2

carbon monoxide

A

2-Ethylbutanoic acid
88-09-5

2-Ethylbutanoic acid

B

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

C

Trimethylacetic acid
75-98-9

Trimethylacetic acid

Conditions
ConditionsYield
With sulfuric acid; silver(l) oxide at 30℃; under 760 Torr; for 4h; Product distribution;A 9 % Turnov.
B 74 % Turnov.
C 7 % Turnov.
(1,3-dimethylbutyl)benzene
19219-84-2

(1,3-dimethylbutyl)benzene

A

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

B

1,3,3-trimethylindane
2613-76-5

1,3,3-trimethylindane

C

benzene
71-43-2

benzene

Conditions
ConditionsYield
With trifluorormethanesulfonic acid; carbon monoxide; 2-Methyl-1-butene In tetrachloromethane under 79800.1 Torr; for 3h; Ambient temperature; Title compound not separated from byproducts;A 5 % Chromat.
B 27 % Chromat.
C 29 % Chromat.
2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

tert-butylisonitrile
119072-55-8, 7188-38-7

tert-butylisonitrile

3-nitro-benzaldehyde
99-61-6

3-nitro-benzaldehyde

(R)-2-(tert-butylamino)-1-(3-nitrophenyl)-2-oxoethyl 2,2-dimethylbutanoate

(R)-2-(tert-butylamino)-1-(3-nitrophenyl)-2-oxoethyl 2,2-dimethylbutanoate

Conditions
ConditionsYield
Stage #1: 2,2-dimethylbutyric acid; 3-nitro-benzaldehyde With (R)-3,3'-bis(9-anthracenyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate; magnesium sulfate In chloroform at -20℃; for 0.166667h; Passerini Condensation; Inert atmosphere; Schlenk technique;
Stage #2: tert-butylisonitrile In chloroform at -20℃; for 36h; Passerini Condensation; Inert atmosphere; Schlenk technique; enantioselective reaction;
99%
2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

triphenylbismuthane
603-33-8

triphenylbismuthane

bismuth(III) 2,2-dimethylbutanoate

bismuth(III) 2,2-dimethylbutanoate

Conditions
ConditionsYield
In toluene at 110℃; for 16h; Schlenk technique; Inert atmosphere;99%
n-butyllithium
109-72-8, 29786-93-4

n-butyllithium

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

lithium 2,2-dimethylisobutyrate

lithium 2,2-dimethylisobutyrate

Conditions
ConditionsYield
Stage #1: n-butyllithium; 2,2-dimethylbutyric acid In hexane at -80℃; Schlenk technique; Inert atmosphere;
Stage #2: In hexane at 20℃; for 2h; Schlenk technique; Inert atmosphere;
99%
6 (R)-[2-(8'(S)-hydroxy-2'(S),6'(R)-dimethyl-1',2',6',7',8',8'a (R)-hexahydronaphthyl-1'(S))ethyl]-4 (R)-(dimethyl-tert-butylsilyloxy)-3,4,5,6-tetrahydro-2H-pyran-2-on

6 (R)-[2-(8'(S)-hydroxy-2'(S),6'(R)-dimethyl-1',2',6',7',8',8'a (R)-hexahydronaphthyl-1'(S))ethyl]-4 (R)-(dimethyl-tert-butylsilyloxy)-3,4,5,6-tetrahydro-2H-pyran-2-on

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

C32H54O5Si

C32H54O5Si

Conditions
ConditionsYield
Stage #1: 2,2-dimethylbutyric acid With N-Bromosuccinimide; triphenylphosphine In dichloromethane at 0 - 20℃; for 0.5h;
Stage #2: 6 (R)-[2-(8'(S)-hydroxy-2'(S),6'(R)-dimethyl-1',2',6',7',8',8'a (R)-hexahydronaphthyl-1'(S))ethyl]-4 (R)-(dimethyl-tert-butylsilyloxy)-3,4,5,6-tetrahydro-2H-pyran-2-on With C24H27O2P; N,N-dimethyl-aniline at 0 - 20℃; for 10h;
97%
6 (R)-[2-(8'(S)-hydroxy-2'(S),6'(R)-dimethyl-l',2',6',7',8',8a'(R)-hexahydronaphthyl-1' (S)) ethyl]-4 (R)-(dimethyl-tert-butylsilyloxy)-3,4,5,6-tetrahydro-2H-pyran-2-on

6 (R)-[2-(8'(S)-hydroxy-2'(S),6'(R)-dimethyl-l',2',6',7',8',8a'(R)-hexahydronaphthyl-1' (S)) ethyl]-4 (R)-(dimethyl-tert-butylsilyloxy)-3,4,5,6-tetrahydro-2H-pyran-2-on

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

C31H52O5Si

C31H52O5Si

Conditions
ConditionsYield
Stage #1: 2,2-dimethylbutyric acid With N-Bromosuccinimide; triphenylphosphine In dichloromethane at 20℃; for 0.5h;
Stage #2: 6 (R)-[2-(8'(S)-hydroxy-2'(S),6'(R)-dimethyl-l',2',6',7',8',8a'(R)-hexahydronaphthyl-1' (S)) ethyl]-4 (R)-(dimethyl-tert-butylsilyloxy)-3,4,5,6-tetrahydro-2H-pyran-2-on at 0 - 20℃; for 10h;
97%
2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

benzylacrylate
2495-35-4

benzylacrylate

benzyl 2-(4-ethyl-4-methyl-5-oxotetrahydrofuran-2-yl)acetate

benzyl 2-(4-ethyl-4-methyl-5-oxotetrahydrofuran-2-yl)acetate

Conditions
ConditionsYield
With palladium(II) trifluoroacetate; 1,1,1,3',3',3'-hexafluoro-propanol; N-[2-(phenylsulfanyl)ethyl]acetamide; HO4P(2-)*Na(1+)*7H2O; silver carbonate at 120℃; for 12h; Reagent/catalyst;96%
2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

C22H34O5

C22H34O5

C28H44O6

C28H44O6

Conditions
ConditionsYield
With sulfuric acid In benzene for 3h; Reflux;96%
lanthanum
7439-91-0

lanthanum

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

La(3+)*3CH3CH2C(CH3)2COO(1-)=La(CH3CH2C(CH3)2COO)3

La(3+)*3CH3CH2C(CH3)2COO(1-)=La(CH3CH2C(CH3)2COO)3

Conditions
ConditionsYield
mercury(II) diacetate; mercury dichloride In toluene La was suspended in toluene, 2,2-dimethylbutyric acid was added, soln. was heated at reflux for 30 min, HgCl2 and Hg(OAc)2 were added, soln. washeated to reflux and stirred for 3 h; ppt. was filtered off, washed with hexane, heated for 30 min at 175°C, and dried at 5E-4 Torr at 120°C; elem. anal.;94%
1,3-Benzothiazole
95-16-9

1,3-Benzothiazole

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

2-(tert-pentyl)benzo[d]thiazole
1556673-19-8

2-(tert-pentyl)benzo[d]thiazole

Conditions
ConditionsYield
With dipotassium peroxodisulfate; silver nitrate In dichloromethane; water at 20℃; for 8h;93%
With ammonium peroxydisulfate; anthocyanin In dichloromethane; water at 20℃; Minisci Aromatic Substitution; Irradiation; Green chemistry;89%
With sodium phosphate dibasic dodecahydrate; 9-(2-mesityl)-10-methylacridinium perchlorate In water; acetonitrile at 20℃; for 36h; Irradiation;80%
2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

{(2S,3S,4S,5R,6S)-2-(tert-Butyl-diphenyl-silanyloxymethyl)-6-methoxy-5-[2-(4-methoxy-phenoxy)-ethyl]-3-propyl-tetrahydro-pyran-4-yl}-methanol
157117-04-9

{(2S,3S,4S,5R,6S)-2-(tert-Butyl-diphenyl-silanyloxymethyl)-6-methoxy-5-[2-(4-methoxy-phenoxy)-ethyl]-3-propyl-tetrahydro-pyran-4-yl}-methanol

2,2-Dimethyl-butyric acid (2S,3S,4S,5R,6S)-2-(tert-butyl-diphenyl-silanyloxymethyl)-6-methoxy-5-[2-(4-methoxy-phenoxy)-ethyl]-3-propyl-tetrahydro-pyran-4-ylmethyl ester
157117-13-0

2,2-Dimethyl-butyric acid (2S,3S,4S,5R,6S)-2-(tert-butyl-diphenyl-silanyloxymethyl)-6-methoxy-5-[2-(4-methoxy-phenoxy)-ethyl]-3-propyl-tetrahydro-pyran-4-ylmethyl ester

Conditions
ConditionsYield
With dmap; methanesulfonyl chloride; triethylamine In dichloromethane92%
N-hydroxyphthalimide
524-38-9

N-hydroxyphthalimide

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

1,3-dioxoisoindolin-2-yl 2,2-dimethylbutanoate

1,3-dioxoisoindolin-2-yl 2,2-dimethylbutanoate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 25℃;92%
With dmap; diisopropyl-carbodiimide In dichloromethane at 20℃; for 0.5h;78%
With dmap; diisopropyl-carbodiimide In dichloromethane
2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

zinc(II) oxide

zinc(II) oxide

tetrazinc μ4-oxohexa-mu.-2,2-dimethylbutanoate

tetrazinc μ4-oxohexa-mu.-2,2-dimethylbutanoate

Conditions
ConditionsYield
In toluene mixt. 2,2-dimethylbutanoic acid (6 equiv.) and zinc oxide (4 equiv.) and toluene heated with stirring for 3 h (water removed); product filtered, solvent removed from filtrate, purified by recrystn.;elem. anal.;91%
2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

phenylpropyolic acid
637-44-5

phenylpropyolic acid

3,3-Dimethyl-1-phenylpent-1-in
131974-58-8

3,3-Dimethyl-1-phenylpent-1-in

Conditions
ConditionsYield
With dipotassium peroxodisulfate; copper; silver nitrate In water; acetonitrile at 110℃; for 12h;91%
2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

N‐(pyrimidin‐2‐yl)indoline

N‐(pyrimidin‐2‐yl)indoline

7-(tert-pentyl)-1-(pyrimidin-2-yl)indoline

7-(tert-pentyl)-1-(pyrimidin-2-yl)indoline

Conditions
ConditionsYield
With [bis(acetoxy)iodo]benzene; palladium diacetate at 40℃; for 2h; regioselective reaction;91%
2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

(E)-3-phenylacrylic acid
140-10-3

(E)-3-phenylacrylic acid

C13H18

C13H18

Conditions
ConditionsYield
With dipotassium peroxodisulfate; copper; silver nitrate In water; acetonitrile at 90℃; for 12h;89%
neodymium

neodymium

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

Nd(3+)*3CH3CH2C(CH3)2COO(1-)=Nd(CH3CH2C(CH3)2COO)3

Nd(3+)*3CH3CH2C(CH3)2COO(1-)=Nd(CH3CH2C(CH3)2COO)3

Conditions
ConditionsYield
mercury(II) diacetate; mercury dichloride In toluene Nd was suspended in toluene, 2,2-dimethylbutyric acid was added, soln. was heated at reflux for 30 min, HgCl2 and Hg(OAc)2 were added, soln. washeated to reflux and stirred for 3 h; ppt. was filtered off, washed with hexane, heated for 30 min at 175°C, and dried at 5E-4 Torr at 120°C; elem. anal.;88%
2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

2-methyl-N‐(pyrimidin‐2‐yl)indoline

2-methyl-N‐(pyrimidin‐2‐yl)indoline

2-methyl-7-(tert-pentyl)-1-(pyrimidin-2-yl)indoline

2-methyl-7-(tert-pentyl)-1-(pyrimidin-2-yl)indoline

Conditions
ConditionsYield
With [bis(acetoxy)iodo]benzene; palladium diacetate at 40℃; for 2h; regioselective reaction;87%
5-methyl-6-cyano-7-hydrazino-2-oxo-2H-pyrano[2,3-b]pyridine-3-carboxylic acid
1057481-46-5

5-methyl-6-cyano-7-hydrazino-2-oxo-2H-pyrano[2,3-b]pyridine-3-carboxylic acid

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

C17H16N4O4
1057481-82-9

C17H16N4O4

Conditions
ConditionsYield
Heating;85%
benzoxazole
273-53-0

benzoxazole

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

2-(2-methyl-2-butyl) benzoxazole
108071-44-9

2-(2-methyl-2-butyl) benzoxazole

Conditions
ConditionsYield
With dipotassium peroxodisulfate; silver nitrate In dichloromethane; water at 20℃; for 8h;85%
[Mn12O12(acetato)16(H2O)4]*4H2O*2(acetic acid)

[Mn12O12(acetato)16(H2O)4]*4H2O*2(acetic acid)

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

dichloromethane
75-09-2

dichloromethane

[Mn12O12(O2C-tert-pentyl)16(H2O)4]*CH2Cl2

[Mn12O12(O2C-tert-pentyl)16(H2O)4]*CH2Cl2

Conditions
ConditionsYield
In dichloromethane; acetonitrile byproducts: acetic acid; soln. Mn complex in MeCN was treated with soln. EtMe2CCOOH in CH2Cl2 andstirred overnight; solvent was removed in vacuo, residue was dissolved in toluene and evapd. to dryness (repeated 3 times), residue was dissolved in CH2Cl2, filtered, MeNO2 was added, 4°C for 4 days, ppt. was filtered, washed with MeNO2, dried in vacuo; elem. anal.;83%
2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

6-nitrobenzo[d]thiazole
2942-06-5

6-nitrobenzo[d]thiazole

6-nitro-2-(tert-pentyl)benzo[d]thiazole
1556673-59-6

6-nitro-2-(tert-pentyl)benzo[d]thiazole

Conditions
ConditionsYield
With dipotassium peroxodisulfate; silver nitrate In dichloromethane; water at 20℃; for 8h;83%
2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

N,O-dimethylhydroxylamine*hydrochloride
6638-79-5

N,O-dimethylhydroxylamine*hydrochloride

lithium phenylacetylide
4440-01-1

lithium phenylacetylide

4,4-dimethyl-1-phenylhex-1-yn-3-one

4,4-dimethyl-1-phenylhex-1-yn-3-one

Conditions
ConditionsYield
Stage #1: 2,2-dimethylbutyric acid With oxalyl dichloride
Stage #2: N,O-dimethylhydroxylamine*hydrochloride With pyridine
Stage #3: lithium phenylacetylide
82%
2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

2-ethyl-2-(3-hydroxy-2,2-dimethylpropoxymethyl)-propane-1,3-diol

2-ethyl-2-(3-hydroxy-2,2-dimethylpropoxymethyl)-propane-1,3-diol

C29H54O7

C29H54O7

Conditions
ConditionsYield
at 200℃; for 50h; Inert atmosphere;81%
C6H4NCH2CHCCH2
491-35-0

C6H4NCH2CHCCH2

2,2-dimethylbutyric acid
595-37-9

2,2-dimethylbutyric acid

4-methyl-2-(tert-pentyl)quinoline

4-methyl-2-(tert-pentyl)quinoline

Conditions
ConditionsYield
With bis-[(trifluoroacetoxy)iodo]benzene In acetonitrile at 20℃; for 12h; Inert atmosphere; Irradiation; Schlenk technique;81%

2,2-Dimethylbutyric acid Chemical Properties


IUPAC Name: 2,2-dimethylbutanoic acid 
Empirical Formula: C6H12O2
Molecular Weight: 116.1583
Canonical SMILES: CCC(C)(C)C(=O)O
InChI: InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
InChIKey: VUAXHMVRKOTJKP-UHFFFAOYSA-N
Melting Point: -14 °C
Decomposition: 176-178 ºC
EINECS: 209-865-0 
Index of Refraction: 1.426
Molar Refractivity: 31.37 cm3
Molar Volume: 122.2 cm3
Surface Tension: 30.6 dyne/cm
Density: 0.95 g/cm3
Flash Point: 80.6 °C
Enthalpy of Vaporization: 46.69 kJ/mol
Boiling Point: 187.3 °C at 760 mmHg
Vapour Pressure: 0.286 mmHg at 25 °C
Product Categories of 2,2-Dimethylbutyric acid (CAS NO.595-37-9):  Organic acids; C6; Carbonyl Compounds; Carboxylic Acids

2,2-Dimethylbutyric acid Uses

 2,2-Dimethylbutyric acid is mainly used in medicine intermediate ,pesticide intermediate,and  lubricant, etc.

2,2-Dimethylbutyric acid Safety Profile

Hazard Codes:IrritantXi
Risk Statements:
R36/37/38:  Irritating to eyes, respiratory system and skin  
Safety Statements:
S26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
S36/37:  Wear suitable protective clothing and gloves 
S36:  Wear suitable protective clothing

2,2-Dimethylbutyric acid Specification

 2,2-Dimethylbutyric acid  (CAS NO.595-37-9), its Synonyms are Butanoic acid, 2,2-dimethyl- ;.alpha., .alpha.-Dimethylbutyric acid ;.alpha.,.alpha.-Dimethylbutanoic acid  .

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