Product Name

  • Name

    Acetylleucine

  • EINECS 202-734-9
  • CAS No. 99-15-0
  • Article Data30
  • CAS DataBase
  • Density 1.069 g/cm3
  • Solubility
  • Melting Point 160 °C
  • Formula C8H15NO3
  • Boiling Point 369.7 °C at 760 mmHg
  • Molecular Weight 173.212
  • Flash Point 177.4 °C
  • Transport Information
  • Appearance white powder
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 99-15-0 (Acetylleucine)
  • Hazard Symbols IrritantXi
  • Synonyms DL-Leucine,N-acetyl-;Leucine, N-acetyl-, DL- (8CI);Acetyl-DL-leucine;N-Acetyl-DL-leucine;NSC 122020;Leucine, N-acetyl-;
  • PSA 66.40000
  • LogP 1.01270

Synthetic route

acetamide
60-35-5

acetamide

carbon monoxide
201230-82-2

carbon monoxide

isovaleraldehyde
590-86-3

isovaleraldehyde

N-acetylleucine
99-15-0

N-acetylleucine

Conditions
ConditionsYield
With sulfuric acid; lithium bromide; bis(triphenylphosphine)palladium dibromide In various solvent(s) at 120℃; under 45003.6 Torr; for 12h;99%
With 1-methyl-pyrrolidin-2-one; sulfuric acid; lithium bromide; palladium on activated charcoal at 100℃; under 45003.6 Torr; for 12h;75%
With sulfuric acid; triphenylphosphine; lithium bromide; palladium on activated charcoal In 1-methyl-pyrrolidin-2-one; toluene at 90℃; under 45003.6 Torr; for 16h;64.4%
With 3-ethyl-1-methyl-1H-imidazol-3-ium bromide; triphenylphosphine; palladium(II) bromide at 100℃; under 45004.5 Torr; for 15h;63%
With hydrogenchloride; potassium tetrachloroplatinate; triphenylphosphine In 1,4-dioxane at 120℃; under 45600 Torr; for 15h;44%
...Expand
L-leucine
61-90-5

L-leucine

acetic acid
64-19-7

acetic acid

N-acetylleucine
99-15-0

N-acetylleucine

Conditions
ConditionsYield
at 150℃; microwave irradiation;94%
acetamide
60-35-5

acetamide

carbon monoxide
201230-82-2

carbon monoxide

isobutene
115-11-7

isobutene

N-acetylleucine
99-15-0

N-acetylleucine

Conditions
ConditionsYield
With carbonylhydridetris(triphenylphosphine)rhodium(I); dicobalt octacarbonyl; hydrogen In ethyl acetate at 120℃; for 4h;84%
...Expand
acetamide
60-35-5

acetamide

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

2-methyl-1-buten-4-ol

carbon monoxide
201230-82-2

carbon monoxide

N-acetylleucine
99-15-0

N-acetylleucine

Conditions
ConditionsYield
With hydrogen; carbonylhydridetris(triphenylphosphine)rhodium(I); dicobalt octacarbonyl In 1,4-dioxane at 100℃; under 100 Torr; for 12h;62%
With hydrogen; dicobalt octacarbonyl; Co-catalyst In 1,4-dioxane at 110℃; under 60800 - 83600.1 Torr;34%
...Expand
acetamide
60-35-5

acetamide

carbon monoxide
201230-82-2

carbon monoxide

3-methyl-2-buten-1-ol
556-82-1

3-methyl-2-buten-1-ol

N-acetylleucine
99-15-0

N-acetylleucine

Conditions
ConditionsYield
With hydrogen; carbonylhydridetris(triphenylphosphine)rhodium(I); dicobalt octacarbonyl In 1,4-dioxane at 110℃; under 60800 - 83600.1 Torr; for 12h;62%
...Expand
Ketene
463-51-4

Ketene

L-leucine
61-90-5

L-leucine

N-acetylleucine
99-15-0

N-acetylleucine

Conditions
ConditionsYield
With water
is sauer Loesung;
acetylamino-isobutyl-malonic acid
408536-45-8

acetylamino-isobutyl-malonic acid

N-acetylleucine
99-15-0

N-acetylleucine

DL-leucine ethyl ester
2899-43-6

DL-leucine ethyl ester

acetic anhydride
108-24-7

acetic anhydride

N-acetylleucine
99-15-0

N-acetylleucine

Conditions
ConditionsYield
durch nachfolgende Verseifung mit Natronlauge;
acetic anhydride
108-24-7

acetic anhydride

LEUCINE
328-39-2

LEUCINE

N-acetylleucine
99-15-0

N-acetylleucine

Conditions
ConditionsYield
With sodium hydroxide l(-)-acetylleucine;
With sodium hydrogencarbonate In 1,4-dioxane; water Ambient temperature; Yield given;
acetic acid
64-19-7

acetic acid

LEUCINE
328-39-2

LEUCINE

N-acetylleucine
99-15-0

N-acetylleucine

Ketene
463-51-4

Ketene

LEUCINE
328-39-2

LEUCINE

N-acetylleucine
99-15-0

N-acetylleucine

Conditions
ConditionsYield
With water
With water l(-)-acetylleucine;
acetamide
60-35-5

acetamide

carbon monoxide
201230-82-2

carbon monoxide

3-methyl-2-buten-1-ol
556-82-1

3-methyl-2-buten-1-ol

A

N-acetylleucine
99-15-0

N-acetylleucine

B

2-acetamido-4-methylhexanoic acid
757959-97-0

2-acetamido-4-methylhexanoic acid

C

2-acetamido-5-methylhexanoic acid
5440-33-5

2-acetamido-5-methylhexanoic acid

Conditions
ConditionsYield
With hydrogen; carbonylhydridetris(triphenylphosphine)rhodium(I); dicobalt octacarbonyl In 1,4-dioxane Product distribution; Mechanism; 100 atm, 25 deg C and 120 deg C, 16 h, then 130 atm 2 to 3 h; reactions of derivatives;
With hydrogen; carbonylhydridetris(triphenylphosphine)rhodium(I); dicobalt octacarbonyl In 1,4-dioxane 100 atm, 25 deg C and 120 deg C, 16 h, then 130 atm 2 to 3 h; Yield given. Yields of byproduct given;
...Expand
acetamide
60-35-5

acetamide

3,10-diethyl-3,6,10-trimethyl-4,9-dioxa-3,10-disiladodecane
105746-99-4

3,10-diethyl-3,6,10-trimethyl-4,9-dioxa-3,10-disiladodecane

3-methyl-2-buten-1-ol
556-82-1

3-methyl-2-buten-1-ol

A

N-acetylleucine
99-15-0

N-acetylleucine

B

2-acetamido-4-methylhexanoic acid
757959-97-0

2-acetamido-4-methylhexanoic acid

C

2-acetamido-5-methylhexanoic acid
5440-33-5

2-acetamido-5-methylhexanoic acid

Conditions
ConditionsYield
With hydrogen; carbonylhydridetris(triphenylphosphine)rhodium(I); dicobalt octacarbonyl In 1,4-dioxane 100 atm, 25 deg C and 120 deg C, 16 h, then 130 atm 2 to 3 h; Yield given. Yields of byproduct given;
...Expand
2-Acetamidoacrylic acid
5429-56-1

2-Acetamidoacrylic acid

isopropylmercury(II) chloride
30615-19-1

isopropylmercury(II) chloride

N-acetylleucine
99-15-0

N-acetylleucine

Conditions
ConditionsYield
With sodium tetrahydroborate; triphenylphosphine; trifluoroacetic acid; Wang resin; diethylazodicarboxylate 1.) THF, 24 h, RT; 2.) CH2Cl2, H2O, 90 min, RT; 3.) CH2Cl2, RT, 30 min; Yield given; Multistep reaction;
N-Ac-Leu
1188-21-2

N-Ac-Leu

trifluoroacetic acid
76-05-1

trifluoroacetic acid

A

N-acetylleucine
99-15-0

N-acetylleucine

B

(S)-2-(2,2,2-trifluoroacetamido)-4-methylpentanoic acid
1480-30-4

(S)-2-(2,2,2-trifluoroacetamido)-4-methylpentanoic acid

C

racemic L-leucine

racemic L-leucine

...Expand
water
7732-18-5

water

5-ethoxy-4-isobutyl-2-methyl-oxazole; hydrochloride

5-ethoxy-4-isobutyl-2-methyl-oxazole; hydrochloride

N-acetylleucine
99-15-0

N-acetylleucine

N-Ac-Leu
1188-21-2

N-Ac-Leu

N-acetylleucine
99-15-0

N-acetylleucine

Conditions
ConditionsYield
With tricyclohexylphosphine; chloro(1,5-cyclooctadiene)rhodium(I) dimer In acetonitrile at 60℃; for 48h; Racemization;
acetylamino-isobutyl-malonic acid diethyl ester
151962-48-0

acetylamino-isobutyl-malonic acid diethyl ester

N-acetylleucine
99-15-0

N-acetylleucine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aq.-ethanolic NaOH
View Scheme
ethyl 2-acetamido-2-ethoxycarbonyl-4-methyl-4-pentenoic acid
37944-29-9

ethyl 2-acetamido-2-ethoxycarbonyl-4-methyl-4-pentenoic acid

N-acetylleucine
99-15-0

N-acetylleucine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: Raney nickel; ethanol
2: aq.-ethanolic NaOH
View Scheme
acetyl chloride
75-36-5

acetyl chloride

LEUCINE
328-39-2

LEUCINE

N-acetylleucine
99-15-0

N-acetylleucine

Conditions
ConditionsYield
With sodium carbonate In 1,4-dioxane; water at 20℃; Inert atmosphere;
4-nitrophenol acetate
830-03-5

4-nitrophenol acetate

LEUCINE
328-39-2

LEUCINE

N-acetylleucine
99-15-0

N-acetylleucine

Conditions
ConditionsYield
With sodium hydroxide In 1,4-dioxane; water at 24.84℃; pH=8.5 - 9; Kinetics;
N-acetylleucine
99-15-0

N-acetylleucine

bis(tri-n-butyltin)oxide
56-35-9

bis(tri-n-butyltin)oxide

N-acetyl-DL-CH3CH(CH3)CH2CHNHCOO-tri-n-butyltin
1801-46-3

N-acetyl-DL-CH3CH(CH3)CH2CHNHCOO-tri-n-butyltin

Conditions
ConditionsYield
byproducts: H2O;88%
byproducts: H2O;88%
In toluene byproducts: H2O; azeotropic dehydration with toluene; recrystn. (benzene) or sublimation;
N-hydroxyphthalimide
524-38-9

N-hydroxyphthalimide

N-acetylleucine
99-15-0

N-acetylleucine

1,3-dioxoisoindolin-2-yl acetylleucinate
97433-42-6

1,3-dioxoisoindolin-2-yl acetylleucinate

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 1h;80%
formaldehyd
50-00-0

formaldehyd

N-acetylleucine
99-15-0

N-acetylleucine

3-Acetyl-4-isobutyl-5-oxazolidinone
150577-30-3

3-Acetyl-4-isobutyl-5-oxazolidinone

Conditions
ConditionsYield
With toluene-4-sulfonic acid In benzene72%
With diethyldichlorosilane Heating;60%
betahistine
5638-76-6

betahistine

N-acetylleucine
99-15-0

N-acetylleucine

(S)-2-Acetylamino-4-methyl-pentanoic acid methyl-(2-pyridin-2-yl-ethyl)-amide

(S)-2-Acetylamino-4-methyl-pentanoic acid methyl-(2-pyridin-2-yl-ethyl)-amide

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide at 20℃; Condensation;70%
N-acetylleucine
99-15-0

N-acetylleucine

propargyl bromide
106-96-7

propargyl bromide

N-acetylleucine propargyl ester

N-acetylleucine propargyl ester

Conditions
ConditionsYield
Stage #1: N-acetylleucine With potassium carbonate
Stage #2: propargyl bromide		65%
C6H4NCH2CHCCH2
491-35-0

C6H4NCH2CHCCH2

N-acetylleucine
99-15-0

N-acetylleucine

C17H22N2O

C17H22N2O

Conditions
ConditionsYield
With ammonium peroxydisulfate; [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate In dimethyl sulfoxide at 20℃; Irradiation; Inert atmosphere;61%
N-acetylleucine
99-15-0

N-acetylleucine

acetic anhydride
108-24-7

acetic anhydride

Acetic acid (2R,4R)-4-isobutyl-2-methyl-3-nitro-5-oxo-oxazolidin-2-yl ester
130668-74-5

Acetic acid (2R,4R)-4-isobutyl-2-methyl-3-nitro-5-oxo-oxazolidin-2-yl ester

Conditions
ConditionsYield
With nitric acid 1.) -20 deg C, 10 min, 2.) -20 deg C to 0 deg C, 5 min;50%
N-acetylleucine
99-15-0

N-acetylleucine

acetic anhydride
108-24-7

acetic anhydride

N-(5-methyl-2-oxohexan-3-yl)acetamide
30057-77-3

N-(5-methyl-2-oxohexan-3-yl)acetamide

Conditions
ConditionsYield
Stage #1: N-acetylleucine; acetic anhydride With dmap; triethylamine at 20℃;
Stage #2: With acetic acid at 20℃; for 0.5h;		48%
N-acetylleucine
99-15-0

N-acetylleucine

L-leucine
61-90-5

L-leucine

Conditions
ConditionsYield
With sodium hydroxide; acylase Amano 30000 from Aspergillus spp. (30 u/mg); water; cobalt(II) chloride at 37 - 40℃; for 48h;39%
Herstellung mit Hilfe eines Enzym-Praeparats aus Aspergillus und Penicillium;
N-acetylleucine
99-15-0

N-acetylleucine

N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

[4-Isobutyl-5-oxo-oxazolidin-(2Z)-ylidene]-acetaldehyde

[4-Isobutyl-5-oxo-oxazolidin-(2Z)-ylidene]-acetaldehyde

Conditions
ConditionsYield
With trichlorophosphate at 90℃;35%
N-acetylleucine
99-15-0

N-acetylleucine

O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
94790-37-1

O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate

11-amino-23-hydroxycarbonyl-25,27-dihydroxy-26,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene
702699-88-5

11-amino-23-hydroxycarbonyl-25,27-dihydroxy-26,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene

11-[N-acetyl-(dl)-leucyl]amino-23-benzotriazolyloxycarbonyl-25,27-dihydroxy-26,28-dipropoxycalix[4]arene
1031858-84-0

11-[N-acetyl-(dl)-leucyl]amino-23-benzotriazolyloxycarbonyl-25,27-dihydroxy-26,28-dipropoxycalix[4]arene

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃;24%
...Expand
diazomethane
186581-53-3, 908094-01-9

diazomethane

N-acetylleucine
99-15-0

N-acetylleucine

methyl N-acetyl-leucinate
57289-25-5

methyl N-acetyl-leucinate

Conditions
ConditionsYield
With diethyl ether; ethanol l(-)-acetylleucine methyl ester;
In diethyl ether
In methanol; diethyl ether at 10℃; Yield given;
ethanol
64-17-5

ethanol

N-acetylleucine
99-15-0

N-acetylleucine

ethyl N-acetyl-leucinate
4071-36-7

ethyl N-acetyl-leucinate

N-acetylleucine
99-15-0

N-acetylleucine

N-Ac-Leu
1188-21-2

N-Ac-Leu

Conditions
ConditionsYield
With (-)-α-fenchylamine
N-acetylleucine
99-15-0

N-acetylleucine

N-acetyl-D-leucine
19764-30-8

N-acetyl-D-leucine

Conditions
ConditionsYield
With (-)-α-fenchylamine
With (S)-1-phenyl-ethylamine
mit Hilfe eines Enzym-Praepaprats aus Aspergillus oder Penicillium;
mit Hilfe eines Enzym-Praepaprats aus Schweine-Nieren;
N-acetylleucine
99-15-0

N-acetylleucine

chloroformic acid ethyl ester
541-41-3

chloroformic acid ethyl ester

N-<2-(1-hydroxy-4-methylpentyl)>acetamide
150206-13-6

N-<2-(1-hydroxy-4-methylpentyl)>acetamide

Conditions
ConditionsYield
With tetrahydrofuran; 1-ethyl-piperidine beim Erwaermen der Reaktionsloesung mit Lithiumboranat;
N-acetylleucine
99-15-0

N-acetylleucine

aniline
62-53-3

aniline

N-acetyl-L-leucine anilide
68200-02-2

N-acetyl-L-leucine anilide

Conditions
ConditionsYield
With papain
N-acetylleucine
99-15-0

N-acetylleucine

[bis(acetoxy)iodo]benzene
3240-34-4

[bis(acetoxy)iodo]benzene

(Di-N-acetyl-D,L-leucyloxyjod)-benzol

(Di-N-acetyl-D,L-leucyloxyjod)-benzol

Conditions
ConditionsYield
In chlorobenzene under 25 - 35 Torr;

Acetylleucine Specification

1. Introduction of Acetylleucine

Acetylleucine, with the IUPAC Nameof 2-acetamido-4-methylpentanoic acid, is one kind of powder. This chemical belongs to the Product Categories which include Amino Acids Derivatives; Amino Acids; Amino Acid Derivatives; Leucine [Leu, L]; Amino Acids and Derivatives; Ac-Amino Acids; Amino Acids (N-Protected); Biochemistry; Amino Acid Derivatives; A - H; Amino Acids; Modified Amino Acids. 

2. Properties of Acetylleucine

Acetylleucine has the following datas: (1)Index of Refraction: 1.458; (2)Molar Refractivity: 44.21 cm3; (3)Molar Volume: 161.9 cm3; (4)Flash Point: 177.4 °C; (5)Melting Point: 160°C; (6)Boiling point: 369.7 °C at 760 mmHg; (7)Storage Temperature: -20 °C; (8)Density: 1.069 g/cm3; (9)Surface Tension: 37.2 dyne/cm; (10)Enthalpy of Vaporization: 67.7 kJ/mol; (11)Vapour Pressure: 1.77E-06 mmHg at 25 °C; (12)XLogP3-AA: 0.5; (13)H-Bond Donor: 2; (14)H-Bond Acceptor: 3.

3. Structure Descriptors of Acetylleucine

You could convert the following datas into the molecular structure:
Canonical SMILES: CC(C)CC(C(=O)O)NC(=O)C
InChI: InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)  
InChIKey: WXNXCEHXYPACJF-UHFFFAOYSA-N

4. Safety Information of Acetylleucine

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36
WGK Germany: 3
HS Code: 29241900

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