Ethyl L-histidinate

Base Information

• Chemical Name: Ethyl L-histidinate
• CAS No.: 7555-06-8
• Molecular Formula: C8H13N3O2
• Molecular Weight: 183.21
• Hs Code.: 2933290090
• European Community (EC) Number: 231-446-6
• DSSTox Substance ID: DTXSID10226476
• Nikkaji Number: J99.421I
• Wikidata: Q76009994
• ChEMBL ID: CHEMBL3251652
• Mol file: 7555-06-8.mol

Synonyms:Ethyl L-histidinate;7555-06-8;ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;ETHYL (2S)-2-AMINO-3-(1H-IMIDAZOL-4-YL)PROPANOATE;L-histidine ethyl ester;histidine ethyl ester;l-Histidine, ethyl ester;SCHEMBL93942;CHEMBL3251652;DTXSID10226476;EINECS 231-446-6;AKOS010396098;AKOS015932663;EN300-75264;Ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate #;ETHYL(2S)-2-AMINO-3-(1H-IMIDAZOL-4-YL)PROPANOATE

Chemical Property of Ethyl L-histidinate

Chemical Property:

• Vapor Pressure: 8.07E-06mmHg at 25°C
• Boiling Point: 374.9°Cat760mmHg
• Flash Point: 180.5°C
• PSA: 81.00000
• Density: 1.214g/cm³
• LogP: 0.54290
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 183.100776666
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CC1=CN=CN1)N
• Isomeric SMILES: CCOC(=O)[C@H](CC1=CN=CN1)N

Technology Process of Ethyl L-histidinate

There total 2 articles about Ethyl L-histidinate 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: 72.1%

ethanol (64-17-5) + L-histidine (71-00-1) → ethyl 2-amino-3-(1H-imidazol-4-yl)propanoate (7555-06-8)

Guidance literature:

With potassium hydroxide; for 2h; Reflux;

DOI:10.1155/2011/173149

Reference yield:

→ ethyl 2-amino-3-(1H-imidazol-4-yl)propanoate (7555-06-8)

Guidance literature:

Hydrochlorid-Lsg., A., Na-O-C2H5 (2 Mol);

DOI:10.1021/ja01479a016

upstream raw materials:

ethanol

L-histidine