Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

N-[(S)-(+)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanine
Related Products

Hot Products

Basic Information Post buying leads Suppliers Cas Database
Name

N-[(S)-(+)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanine

 EINECS 1308068-626-2
CAS No. 82717-96-2 Density 1.137 g/cm3
PSA 75.63000 LogP 2.00450
Solubility 100mg/L at 25℃ Melting Point 150-152 °C(lit.)
Formula C15H21NO4 Boiling Point 441.2 °C at 760 mmHg
Molecular Weight 279.336 Flash Point 220.6 °C
Transport Information N/A Appearance White crystalline powder
Safety 37/39-26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 82717-96-2 (N-[(S)-(+)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanine) Hazard Symbols IrritantXi
Synonyms

Benzenebutanoicacid, a-[(1-carboxyethyl)amino]-,monoethyl ester, [S-(R*,R*)]-;Benzenebutanoic acid, a-[[(1S)-1-carboxyethyl]amino]-,monoethyl ester, (aS)- (9CI);N-[(S)-1-Ethoxycarbonyl-3-phenylpropyl]-L-alanine;N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine;N-(1-(S)-(Ethoxycarbonyl)-3-phenylpropyl)-L-alanine(ECPPA);

Article Data 20

N-[(S)-(+)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanine Synthetic route

87269-98-5

(1'S,2S)-2-(1'-Methyl-2'-oxo-2'-phenylmethoxy-ethylamino)-4-oxo-4-phenyl-buttersaeure-ethylester

82717-96-2

[1(S)-(ethoxycarbonyl)-3-phenylpropyl]-(S)-alanine

Conditions
ConditionsYield
With hydrogenchloride; palladium 10% on activated carbon; hydrogen; N,N-diphenylthiourea In 1,4-dioxane; isopropyl alcohol under 2250.23 Torr; Reagent/catalyst; Solvent; Autoclave;96%
With sulfuric acid; hydrogen; palladium on activated charcoal In acetic acid at 25 - 30℃; under 760 Torr;91%
With methanesulfonic acid; hydrogen; palladium on activated charcoal In isopropyl alcohol at 20 - 215℃; for 10h;
97457-39-1

Benzyl (2S)-2-amino>propionate Hydrogenmaleate

82717-96-2

[1(S)-(ethoxycarbonyl)-3-phenylpropyl]-(S)-alanine

Conditions
ConditionsYield
With hydrogen; palladium In ethanol under 760 Torr; for 3h; Ambient temperature;96%
80828-38-2

N-<(S)-1-(ethoxycarbonyl)-3-phenylpropyl>-L-alanine tert-butylester

82717-96-2

[1(S)-(ethoxycarbonyl)-3-phenylpropyl]-(S)-alanine

Conditions
ConditionsYield
With trifluoroacetic acid for 2h; Ambient temperature;90%
With trifluoroacetic acid
82717-95-1

Benzyl (2S)-2-amino>propionate

82717-96-2

[1(S)-(ethoxycarbonyl)-3-phenylpropyl]-(S)-alanine

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol under 760 Torr; Ambient temperature;
Multi-step reaction with 2 steps
1: ethyl acetate; diisopropyl ether
2: 96 percent / H2 / Pd / ethanol / 3 h / 760 Torr / Ambient temperature
View Scheme
46460-23-5

ethyl 2-amino-4-phenyl-(2S)-butyrate

93836-48-7

(S)-2-(trifluoromethanesulphonyloxy)propionic acid benzyl ester

A

82717-96-2

[1(S)-(ethoxycarbonyl)-3-phenylpropyl]-(S)-alanine

B

85196-26-5

(2R)-2-amino>propionic acid

Conditions
ConditionsYield
With formic acid; tributyl-amine; palladium on activated charcoal 1.) CH2Cl2, -20 deg C, 2 h, 2.) methanol, 2 h; Yield given. Multistep reaction;
121842-77-1

(R)-ethyl 2-bromo-4-phenylbutyrate

82717-96-2

[1(S)-(ethoxycarbonyl)-3-phenylpropyl]-(S)-alanine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: H2O; nitromethane / 72 h / 50 °C / examined various solvent-base systems
2: 90 percent / CF3COOH / 2 h / Ambient temperature
View Scheme
121842-75-9

N-carbamyl (R)-2-amino-4-phenylbutyric acid

82717-96-2

[1(S)-(ethoxycarbonyl)-3-phenylpropyl]-(S)-alanine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 1.) NaNO2, 2N H2SO4; 2.) KBr, NaNO2, 3N H2SO4 / 1.) 50percent CH3COOH, r.t., 24 h; 2.) 50percent CH3COOH, 0-5 deg C, 1 h
2: 95 percent / SOCl2 / 24 h / Ambient temperature
3: H2O; nitromethane / 72 h / 50 °C / examined various solvent-base systems
4: 90 percent / CF3COOH / 2 h / Ambient temperature
View Scheme
15121-89-8

ethyl (E)-4-oxo-4-phenyl-2-butenoate

82717-96-2

[1(S)-(ethoxycarbonyl)-3-phenylpropyl]-(S)-alanine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 77 percent / N(C2H5)3 / ethanol / Ambient temperature
2: 91 percent / H2, cc.H2SO4 / Pd/C / acetic acid / 25 - 30 °C / 760 Torr
View Scheme
93921-85-8

ethyl 2-hydroxy-4-phenylbutanoate

82717-96-2

[1(S)-(ethoxycarbonyl)-3-phenylpropyl]-(S)-alanine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 84 percent / pyridine / CH2Cl2 / 0 °C
2: N(C2H5)3 / CH2Cl2 / Ambient temperature
3: H2 / Pd/C / ethanol / 760 Torr / Ambient temperature
View Scheme
29678-81-7

(R)-2-hydroxy4-phenylbutanoic acid

82717-96-2

[1(S)-(ethoxycarbonyl)-3-phenylpropyl]-(S)-alanine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: HCl
2: pyridine / CH2Cl2 / Ambient temperature
3: N(C2H5)3 / CH2Cl2 / Ambient temperature
4: H2 / Pd/C / ethanol / 760 Torr / Ambient temperature
View Scheme

N-[(S)-(+)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanine Specification

The IUPAC name of N-[(S)-(+)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanine is (2S)-2-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azaniumyl]propanoate. With the CAS registry number 82717-96-2, it is also named as Benzenebutanoic acid, alpha-((1-carboxyethyl)amino)-, monoethyl ester, (S-(theta,theta))-. The product's categories are miscellaneous; various intermediates; amino acids 13C, 2H, 15N; amino acids & derivatives; aromatics; chiral reagents; intermediates; intermediates & fine chemicals; metabolites & impurities; pharmaceuticals; alanine derivatives; peptide synthesis; unnatural amino acid derivatives. It is white crystalline powder which is an intermediate in the synthesis of Ramipril. It is also used as Moexipril intermediate. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of N-[(S)-(+)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanine can be summarized as: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): -0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.28; (8)ACD/KOC (pH 7.4): 1.13; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 75.08 cm3; (14)Molar Volume: 245.4 cm3; (15)Polarizability: 29.76×10-24 cm3; (16)Surface Tension: 43.8 dyne/cm; (17)Enthalpy of Vaporization: 73.61 kJ/mol; (18)Vapour Pressure: 1.46E-08 mmHg at 25°C; (19)Rotatable Bond Count: 8; (20)Exact Mass: 279.147058; (21)MonoIsotopic Mass: 279.147058; (22)Topological Polar Surface Area: 83; (23)Heavy Atom Count: 20; (24)Complexity: 308.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. 

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)[C@@H](N[C@H](C(=O)OCC)CCc1ccccc1)C
2. InChI:InChI=1/C15H21NO4/c1-3-20-15(19)13(16-11(2)14(17)18)10-9-12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,17,18)/t11-,13-/m0/s1

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 82717-96-2