• Name

  (S)-3-METHYLHEPTANOIC ACID

• EINECS
• CAS No. 59614-85-6
• Article Data32
• CAS DataBase
• Density 0.927 g/cm³
• Solubility
• Melting Point
• Formula C₈H₁₆O₂
• Boiling Point 234.584 °C at 760 mmHg
• Molecular Weight 144.214
• Flash Point 116.564 °C
• Transport Information
• Appearance
• Safety
• Risk Codes
• Molecular Structure
• Hazard Symbols
• Synonyms Heptanoicacid, 3-methyl-, (S)-;(-)-3-Methylheptanoic acid;(S)-(-)-3-Methylheptanoicacid;(S)-3-Methylheptanoic acid;
• PSA 37.30000
• LogP 2.28740

Synthetic route

84817-84-5

3-methylideneheptanoic acid

59614-85-6

(-)-(S)-3-methylheptanoic acid

Conditions

Conditions	Yield
With C38H36IrO2P; hydrogen; caesium carbonate In butan-1-ol at 65℃; under 2280.15 Torr; enantioselective reaction;	99%

913962-59-1

(1'S,2'S,3S)-N-(2'-hydroxy-1'-methyl-2'-phenylethyl)-N,3-dimethylheptanamide

59614-85-6

(-)-(S)-3-methylheptanoic acid

Conditions

Conditions	Yield
With sulfuric acid In 1,4-dioxane for 6h; Heating;	88%

116370-22-0

S-3-methyl-6-heptenoic acid

59614-85-6

(-)-(S)-3-methylheptanoic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethyl acetate under 2585.7 Torr; for 2h;	87%

(S)-(4-methyloct-1-ene-1,1-diyl)dibenzene

59614-85-6

(-)-(S)-3-methylheptanoic acid

Conditions

Conditions	Yield
With potassium permanganate; sodium periodate; potassium carbonate In water; tert-butyl alcohol at 20℃; for 6h; pH=8 - 9; Reagent/catalyst; Solvent;	84%

61169-84-4, 1070-32-2, 99427-18-6, 111767-94-3

(S)-3-methylheptan-1-ol

59614-85-6

(-)-(S)-3-methylheptanoic acid

Conditions

Conditions	Yield
With potassium permanganate; acetic acid In acetone Ambient temperature;	81%
With hydrogenchloride; Ca(OCl2)2 In tetrachloromethane for 5h;

C32H39NO3

59614-85-6

(-)-(S)-3-methylheptanoic acid

Conditions

Conditions	Yield
With lithium hydroxide In tetrahydrofuran; water at 20℃; for 10h;	71%

109622-00-6

methyl (S)-3-methyl-5-oxoheptanoate

59614-85-6

(-)-(S)-3-methylheptanoic acid

Conditions

Conditions	Yield
With potassium hydroxide; hydrazinium sulfate In water; diethylene glycol for 18.5h;	61%

99439-79-9

(S)-(-)-methyl 3-methylheptanoate

59614-85-6

(-)-(S)-3-methylheptanoic acid

109-65-9

1-bromo-butane

(S)-1-crotonoyl-2-(1-hydroxy-1-methylethyl)pyrrolidine

A

59614-85-6

(-)-(S)-3-methylheptanoic acid

B

57403-74-4

(R)-3-methylheptanoic acid

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene from -40 deg C to room temp.; Yield given. Yields of byproduct given;

...Expand

108509-68-8

(S)-1-((1S,5R,7R)-10,10-Dimethyl-3,3-dioxo-3λ6-thia-4-aza-tricyclo[5.2.1.01,5]dec-4-yl)-3-methyl-heptan-1-one

59614-85-6

(-)-(S)-3-methylheptanoic acid

Conditions

Conditions	Yield
With lithium hydroxide In tetrahydrofuran; water for 18h; Ambient temperature; Yield given;

81002-23-5

(S)-3-Methyl-heptanoic acid (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester

A

59614-85-6

(-)-(S)-3-methylheptanoic acid

B

65253-04-5

(-)-8-phenylmenthol

Conditions

Conditions	Yield
With sodium methylate In methanol; water at 75℃; for 24h;

105526-90-7

(5S)-N-[(3R)-methylheptanoyl]-5-triphenylmethoxymethyl-2-pyrrolidinone

A

59614-85-6

(-)-(S)-3-methylheptanoic acid

B

57403-74-4

(R)-3-methylheptanoic acid

Conditions

Conditions	Yield
With hydrogenchloride; potassium hydroxide 1.) MeOH, reflux, 12 h, 2.) MeOH-water, reflux, 5 h; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

77727-24-3

(E)-2-((S)-Benzenesulfinyl)-but-2-enoic acid methyl ester

A

59614-85-6

(-)-(S)-3-methylheptanoic acid

B

57403-74-4

(R)-3-methylheptanoic acid

Conditions

Conditions	Yield
With ethanol; aluminium amalgam; di-n-butylcopperlithium; water Product distribution; multistep reaction, asymmetric induction;

88020-53-5

(S)-3-Methyl-heptanoic acid ((1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amide

A

59614-85-6

(-)-(S)-3-methylheptanoic acid

B

57403-74-4

(R)-3-methylheptanoic acid

Conditions

Conditions	Yield
With sulfuric acid; acetic acid for 3h; Heating; Yield given;

96864-22-1

(S)-3-Methyl-heptanoic acid (1S,2R,4R)-1-[(dicyclohexylsulfamoyl)-methyl]-7,7-dimethyl-bicyclo[2.2.1]hept-2-yl ester

A

59614-85-6

(-)-(S)-3-methylheptanoic acid

B

96303-88-7

(-)-10-dicyclohexylsulfamoyl-D-isoborneol

Conditions

Conditions	Yield
With sodium hydroxide In ethanol Heating; Yield given. Yields of byproduct given;

Heptanoic acid,3-methyl-, (3S)- Specification