Product Name

  • Name

    N-LAUROYL-L-ALANINE

  • EINECS
  • CAS No. 52558-74-4
  • Article Data16
  • CAS DataBase
  • Density 0.98 g/cm3
  • Solubility
  • Melting Point 104-105 °C
  • Formula C15H29NO3
  • Boiling Point 452.055 °C at 760 mmHg
  • Molecular Weight 271.4
  • Flash Point 227.195 °C
  • Transport Information
  • Appearance
  • Safety 22-24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 52558-74-4 (N-LAUROYL-L-ALANINE)
  • Hazard Symbols
  • Synonyms Lauroylalanine;N-Lauroyl-L-alanine;N-Lauroylalanine;
  • PSA 66.40000
  • LogP 3.88750

Synthetic route

L-alanine,N-(1-oxododecyl)-,sodium salt

L-alanine,N-(1-oxododecyl)-,sodium salt

2-(dodecanoylamino)propanoic acid
52558-74-4

2-(dodecanoylamino)propanoic acid

Conditions
ConditionsYield
With hydrogenchloride for 2h; pH=3 - 4; Cooling with ice; Large scale;99%
n-dodecanoyl chloride
112-16-3

n-dodecanoyl chloride

L-alanin
56-41-7

L-alanin

2-(dodecanoylamino)propanoic acid
52558-74-4

2-(dodecanoylamino)propanoic acid

Conditions
ConditionsYield
With sodium hydroxide for 0.5h; Ambient temperature;98%
With sodium hydroxide at 3℃;
With sodium hydroxide In water; tert-butyl alcohol
n-dodecanoyl chloride
112-16-3

n-dodecanoyl chloride

Wang resin-bound Fmoc-L-alanine

Wang resin-bound Fmoc-L-alanine

2-(dodecanoylamino)propanoic acid
52558-74-4

2-(dodecanoylamino)propanoic acid

Conditions
ConditionsYield
Stage #1: Wang resin-bound Fmoc-L-alanine With piperidine In N,N-dimethyl-formamide at 20℃;
Stage #2: n-dodecanoyl chloride With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h;
Stage #3: With trifluoroacetic acid In dichloromethane at 20℃; for 18h;		98%
methyl 2-(dodecanoylamino)propanoate

methyl 2-(dodecanoylamino)propanoate

2-(dodecanoylamino)propanoic acid
52558-74-4

2-(dodecanoylamino)propanoic acid

Conditions
ConditionsYield
With sodium hydroxide In methanol at 5℃; for 2h;97%
With sodium hydroxide In tetrahydrofuran; methanol; water at 0℃; for 2h;97%
With potassium hydroxide In methanol at 20℃; for 10h;
With sodium hydroxide In tetrahydrofuran; water at 20℃; for 5h;928.8 mg
L-alanin
56-41-7

L-alanin

methyl n-dodecanoate
111-82-0

methyl n-dodecanoate

2-(dodecanoylamino)propanoic acid
52558-74-4

2-(dodecanoylamino)propanoic acid

Conditions
ConditionsYield
With magnesium oxide; potassium oxide at 20 - 40℃; for 3h; pH=10;90.33%
n-dodecanoyl chloride
112-16-3

n-dodecanoyl chloride

D-Alanine
338-69-2

D-Alanine

2-(dodecanoylamino)propanoic acid
52558-74-4

2-(dodecanoylamino)propanoic acid

Conditions
ConditionsYield
With alkali
2-(dodecanoylamino)propanoic acid
52558-74-4

2-(dodecanoylamino)propanoic acid

L-alanine,N-(1-oxododecyl)-,sodium salt

L-alanine,N-(1-oxododecyl)-,sodium salt

Conditions
ConditionsYield
With sodium hydroxide In ethanol at 50 - 70℃;99%
2-(dodecanoylamino)propanoic acid
52558-74-4

2-(dodecanoylamino)propanoic acid

1,4-phenylenediamine
106-50-3

1,4-phenylenediamine

C36H62N4O4
1057479-80-7

C36H62N4O4

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 10h;52%
1-hydroxy-pyrrolidine-2,5-dione
6066-82-6

1-hydroxy-pyrrolidine-2,5-dione

2-(dodecanoylamino)propanoic acid
52558-74-4

2-(dodecanoylamino)propanoic acid

(S)-2-Dodecanoylamino-propionic acid 2,5-dioxo-pyrrolidin-1-yl ester

(S)-2-Dodecanoylamino-propionic acid 2,5-dioxo-pyrrolidin-1-yl ester

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 12h;
2-(dodecanoylamino)propanoic acid
52558-74-4

2-(dodecanoylamino)propanoic acid

6-<4-Deoxy-4-(dodecanoyl-L-alanyl)amino-L-glycero-β-L-manno-heptopyranosylamino>-9H-purine

6-<4-Deoxy-4-(dodecanoyl-L-alanyl)amino-L-glycero-β-L-manno-heptopyranosylamino>-9H-purine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: DCC / dimethylformamide / 12 h
2: Et3N / dimethylformamide / 24 h
View Scheme
2-(dodecanoylamino)propanoic acid
52558-74-4

2-(dodecanoylamino)propanoic acid

L-alanin
56-41-7

L-alanin

Conditions
ConditionsYield
With recombinant Streptomyces mobaraensis aminoacylase; water at 37℃; pH=7.5; aq. buffer; Enzymatic reaction;

L-Alanine,N-(1-oxododecyl)- Specification

The L-Alanine,N-(1-oxododecyl)-, with the CAS registry number 52558-74-4, is also known as N-Lauroyl-L-alanine. It belongs to the product categories of Pharmacetical; Amino Acids; I - Z; Modified Amino Acids. This chemical's molecular formula is C15H29NO3 and molecular weight is 271.40. What's more, its systematic name is called N-Dodecanoyl-L-alanine. When you are dealing with this chemical, you should be very careful. The gas can not be breathed. You should avoid contacting with skin and eyes. 

Physical properties about L-Alanine,N-(1-oxododecyl)- are: (1)ACD/LogP: 4.249; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 7.19; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 35.15; (8)ACD/KOC (pH 7.4): 1.30; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 66.4 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 76.69 cm3; (15)Molar Volume: 277.075 cm3; (16)Polarizability: 30.402×10-24cm3; (17)Surface Tension: 36.519 dyne/cm; (18)Density: 0.98 g/cm3; (19)Flash Point: 227.195 °C; (20)Enthalpy of Vaporization: 77.952 kJ/mol; (21)Boiling Point: 452.055 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C[C@H](NC(=O)CCCCCCCCCCC)C(O)=O
(2) InChI: InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16-13(2)15(18)19/h13H,3-12H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
(3) InChIKey: UYTOHYBIBPDOKX-ZDUSSCGKSA-N

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