Ethyl alaninate

Base Information

• Chemical Name: Ethyl alaninate
• CAS No.: 3082-75-5
• Molecular Formula: C5H11NO2
• Molecular Weight: 117.148
• Hs Code.: 2922499990
• European Community (EC) Number: 221-380-6
• DSSTox Substance ID: DTXSID10953018
• Nikkaji Number: J25.554H
• Wikidata: Q82931773
• Mol file: 3082-75-5.mol

Synonyms:Ethyl alaninate;3082-75-5;L-Alanine, ethyl ester;Alanine ethyl ester;ethyl (2S)-2-aminopropanoate;Alanine, ethyl ester;Alanine, ethyl ester, L-;H-DL-Ala-OEt . HCl;(S)-ethyl 2-aminopropanoate;EINECS 221-380-6;Ethyl 2-aminopropanoate #;L-Alanine ethyl;l-ala ethyl ester;Ala-OEt;L-ALANINE ETHYL ESTER;SCHEMBL135308;L-.alpha.-Alanine ethyl ester;DTXSID10953018;AKOS010367424;AKOS015932661;CS-0371062;EN300-115369

Chemical Property of Ethyl alaninate

Chemical Property:

• Vapor Pressure: 11mmHg at 25°C
• Melting Point: 165-166.5 °C
• Refractive Index: 1.427
• Boiling Point: 127.8 °C at 760 mmHg
• PKA: 8.03±0.29(Predicted)
• Flash Point: 3.5 °C
• PSA: 52.32000
• Density: 0.987 g/cm³
• LogP: 0.59700
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 117.078978594
• Heavy Atom Count: 8
• Complexity: 82.5

Purity/Quality:

98%Min ^*data from raw suppliers

Ethyl(2S)-2-Aminopropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)N
• Isomeric SMILES: CCOC(=O)[C@H](C)N

Technology Process of Ethyl alaninate

There total 30 articles about Ethyl alaninate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

ethanol (64-17-5) + L-alanin (56-41-7,25191-17-7,18875-37-1) → L-Alanine ethyl ester (3082-75-5)

Guidance literature:

With thionyl chloride;

DOI:10.1016/j.mencom.2013.03.013

Reference yield: 98.0%

(S)-alanine ethyl ester hydrochloride (1115-59-9) → L-Alanine ethyl ester (3082-75-5)

Guidance literature:

With triethylamine; In chloroform; at 20 ℃; for 7h; Reflux;

DOI:10.1016/j.ejmech.2020.112111

Reference yield: 95.0%

(2S,5S)-3,6-diethoxy-2-methyl-5-(prop-2-enyl)-2,5-dihydropyrazine → L-Alanine ethyl ester (3082-75-5) + (S)-ethyl 2-aminopent-4-enoate (89105-35-1)

Guidance literature:

With hydrogenchloride; In acetone; for 24h; Ambient temperature;

upstream raw materials:

ethanol

D-Alanine

AlaOEt

L-alanin

Downstream raw materials:

Cbz-glycylalanine ethyl ester

N-benzyloxycarbonyl-L-alanyl-L-alanine ethyl ester

N-(N²-benzyloxycarbonyl-L-glutaminyl)-L-alanine ethyl ester

N-(N^α-benzyloxycarbonyl-L-histidyl)-L-alanin-ethyl ester

Refernces

• 1、 Tan, Shenpeng,Li, Feng,Park, Soojun,Kim, Sanghee. "Carbocyclization of Heterosubstituted Alkynes via the Memory of Chirality: Access to Cα-Substituted Proline Derivatives". . p. 14436 - 14450. Retrieved 2019.
• 2、 Bode, Moira L.,Coyanis, E. Mabel,Mosebi, Salerwe,Njengele, Zikhona,Rashamuse, Thompho J.,Sayed, Yasien. "Design, synthesis and biological evaluation of novel 2-(5-aryl-1H-imidazol-1-yl) derivatives as potential inhibitors of the HIV-1 Vpu and host BST-2 protein interaction". . . Retrieved 2020/02/13.