CAS No.52558-74-4,N-LAUROYL-L-ALANINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52558-74-4
Name:	N-LAUROYL-L-ALANINE
Article Data:	16

Formula:	C₁₅H₂₉NO₃
Molecular Weight:	271.4
Synonyms:	Lauroylalanine;N-Lauroyl-L-alanine;N-Lauroylalanine;
Density:	0.98 g/cm³
Melting Point:	104-105 °C
Boiling Point:	452.055 °C at 760 mmHg
Flash Point:	227.195 °C
Safety:	22-24/25
PSA:	66.40000
LogP:	3.88750

Synthetic route

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

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

Conditions

Conditions	Yield
With hydrogenchloride for 2h; pH=3 - 4; Cooling with ice; Large scale;	99%

: 112-16-3
n-dodecanoyl chloride

: 56-41-7
L-alanin

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

Conditions

Conditions	Yield
With sodium hydroxide for 0.5h; Ambient temperature;	98%
With sodium hydroxide at 3℃;
With sodium hydroxide In water; tert-butyl alcohol

: 112-16-3
n-dodecanoyl chloride

Wang resin-bound Fmoc-L-alanine: Wang resin-bound Fmoc-L-alanine

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

Conditions

Conditions	Yield
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

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

Conditions

Conditions	Yield
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

: 56-41-7
L-alanin

: 111-82-0
methyl n-dodecanoate

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

Conditions

Conditions	Yield
With magnesium oxide; potassium oxide at 20 - 40℃; for 3h; pH=10;	90.33%

: 112-16-3
n-dodecanoyl chloride

: 338-69-2
D-Alanine

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

Conditions

Conditions	Yield
With alkali

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

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

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 50 - 70℃;	99%

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

: 106-50-3
1,4-phenylenediamine

: 1057479-80-7
C36H62N4O4

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 10h;	52%

: 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione

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

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

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 12h;

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

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: DCC / dimethylformamide / 12 h 2: Et3N / dimethylformamide / 24 h View Scheme

Raw Materials

112-16-3

56-41-7

338-69-2

143-07-7

Downstream Products

56-41-7

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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