L-Alanine isopropyl ester hydrochloride

Base Information

• Chemical Name: L-Alanine isopropyl ester hydrochloride
• CAS No.: 62062-65-1
• Molecular Formula: C₆H₁₃NO₂*ClH
• Molecular Weight: 167.636
• Hs Code.: 2922498590
• European Community (EC) Number: 692-724-4,807-027-4
• UNII: XE5BV8F75L
• DSSTox Substance ID: DTXSID10960388,DTXSID001347097
• Mol file: 62062-65-1.mol

Synonyms:62062-65-1;L-Alanine isopropyl ester hydrochloride;(S)-isopropyl 2-aminopropanoate hydrochloride;39825-33-7;H-Ala-OiPr.HCl;H-Ala-OiPr hydrochloride;H-ALA-OIPR HCL;isopropyl L-alaninate hydrochloride;XE5BV8F75L;(S)-ISOPROPYL 2-AMINOPROPANOATE HCL;(S)-Isopropyl-2-aminopropanoate Hydrochloride;propan-2-yl (2S)-2-aminopropanoate;hydrochloride;PROPAN-2-YL (2S)-2-AMINOPROPANOATE HYDROCHLORIDE;MFCD08059709;isopropyl L-alanine hydrochloride;Alanine, 1-methylethyl ester, hydrochloride;isopropyl (2S)-2-aminopropanoate hydrochloride;L-alanine isopropylester hydrochloride;UNII-XE5BV8F75L;EC 692-724-4;SCHEMBL215571;AMY852;(S)-2-Aminopropionic Acid Isopropyl Ester Hydrochloride;DTXSID10960388;Iso-Propyl alaninate hydrochloride;YAQKNCSWDMGPOY-JEDNCBNOSA-N;DTXSID001347097;L-ALANINE, 1-METHYLETHYL ESTER, HYDROCHLORIDE (1:1);39825-33-7 (non-salt);AKOS016016046;AC-8641;CS-W019924;GS-5932;L-alanine iso-propyl ester hydrochloride;AC-29152;(S)-isopropyl2-aminopropanoatehydrochloride;Isopropyl (S)-2-Aminopropionate Hydrochloride;EN300-247775;M02938;Propan-2-yl alaninate--hydrogen chloride (1/1);A854791;L-ALANINE, 1-METHYLETHYL ESTER, HYDROCHLORIDE

Chemical Property of L-Alanine isopropyl ester hydrochloride

Chemical Property:

• Vapor Pressure: 0.438mmHg at 25°C
• Melting Point: 85 °C
• Boiling Point: 191.4°C at 760 mmHg
• Flash Point: 69.5°C
• PSA: 52.32000
• LogP: 1.78750
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 167.0713064
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99.8% ^*data from raw suppliers

(S)-Isopropyl-2-aminopropanoateHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C(C)N.Cl
• Isomeric SMILES: C[C@@H](C(=O)OC(C)C)N.Cl
• Uses: L-Alanine isopropyl ester hydrochloride is a reagent used in the synthesis of anti- hepatitis C virus prodrugs based on imidazotriazine and pyrrolotriazine molecules. Further, it reacts with (1R:2R)-2-Hydroxy-πnanone-3 to prepare isopropyl (1R,2R,5R)-2′-[(2-hydroxypinan-3-ylene)amino]propanoate.

Technology Process of L-Alanine isopropyl ester hydrochloride

There total 3 articles about L-Alanine isopropyl ester hydrochloride 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%

L-alanin (56-41-7,25191-17-7,18875-37-1) + isopropyl alcohol (67-63-0,8013-70-5) → alanine isopropyl ester hydrochloride (39613-92-8,62062-56-0,62062-65-1)

Guidance literature:

With hydrogenchloride; at 80 - 85 ℃; for 4h; Inert atmosphere;

Reference yield: 100.0%

Boc-Ala-O-i-Pr → alanine isopropyl ester hydrochloride (39613-92-8,62062-56-0,62062-65-1)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.joc.5b00403

Reference yield: 83.2%

isopropyl alcohol (67-63-0,8013-70-5) + L-alanine N-carboxyanhydride (2224-52-4) → alanine isopropyl ester hydrochloride (39613-92-8,62062-56-0,62062-65-1)

Guidance literature:

isopropyl alcohol; L-alanine N-carboxyanhydride; With 1-ethyl-3-methylimidazolium hydrogensulfate; In toluene; at 50 ℃; for 20h;

With hydrogenchloride; for 0.5h;

upstream raw materials:

L-alanin

isopropyl alcohol

L-alanine N-carboxyanhydride

Downstream raw materials:

phenyl(isopropoxy-L-alaninyl) phosphorochloridate

(S)-2-[(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphorylamino]propionic acid isopropyl ester

(2S)-isopropyl2-((((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)(phenoxy)phosphoryl)amino)propanoate

(S)-isopropyl-2-(((S)-((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)(phenoxy)phosphoryl)amino)propanoate