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99-15-0

Basic Information
CAS No.: 99-15-0
Name: Acetylleucine
Article Data: 30
Cas Database
Molecular Structure:
Molecular Structure of 99-15-0 (Acetylleucine)
Formula: C8H15NO3
Molecular Weight: 173.212
Synonyms: DL-Leucine,N-acetyl-;Leucine, N-acetyl-, DL- (8CI);Acetyl-DL-leucine;N-Acetyl-DL-leucine;NSC 122020;Leucine, N-acetyl-;
EINECS: 202-734-9
Density: 1.069 g/cm3
Melting Point: 160 °C
Boiling Point: 369.7 °C at 760 mmHg
Flash Point: 177.4 °C
Solubility: N/A
Appearance: white powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information: N/A
PSA: 66.40000
LogP: 1.01270
Synthetic route
60-35-5

acetamide

201230-82-2

carbon monoxide

590-86-3

isovaleraldehyde

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%
61-90-5

L-leucine

64-19-7

acetic acid

99-15-0

N-acetylleucine

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

acetamide

201230-82-2

carbon monoxide

115-11-7

isobutene

99-15-0

N-acetylleucine

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

acetamide

763-32-6

2-methyl-1-buten-4-ol

201230-82-2

carbon monoxide

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%
60-35-5

acetamide

201230-82-2

carbon monoxide

556-82-1

3-methyl-2-buten-1-ol

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%
463-51-4

Ketene

61-90-5

L-leucine

99-15-0

N-acetylleucine

Conditions
ConditionsYield
With water
is sauer Loesung;
408536-45-8

acetylamino-isobutyl-malonic acid

99-15-0

N-acetylleucine

2899-43-6

DL-leucine ethyl ester

108-24-7

acetic anhydride

99-15-0

N-acetylleucine

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

acetic anhydride

328-39-2

LEUCINE

99-15-0

N-acetylleucine

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

acetic acid

328-39-2

LEUCINE

99-15-0

N-acetylleucine

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    N-Acetyl-DL-Leucine CAS No.:99-15-0 Authentication:KOSHER Quality Standard :AJI Molecular formula :C8H15NO3 Molecular weight :173.21 Description :Pharmaceutical intermediate N-acetyl-dl-leucine [99-15-0] Product Name:

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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