2-azaniumyl-2-methyl-butanoate;D-Isovaline

Base Information

• Chemical Name: 2-azaniumyl-2-methyl-butanoate;D-Isovaline
• CAS No.: 595-39-1
• Molecular Formula: C5H11 N O2
• Molecular Weight: 117.148
• Hs Code.: 2922499990
• Mol file: 595-39-1.mol

Synonyms:A820450;2-azaniumyl-2-methyl-butanoate;D-Isovaline

Chemical Property of 2-azaniumyl-2-methyl-butanoate;D-Isovaline

Chemical Property:

• Melting Point: 307-308° (closed tube)
• Refractive Index: 1.4650 (estimate)
• Boiling Point: 213.6°Cat760mmHg
• PKA: 2.38±0.10(Predicted)
• Flash Point: 83°C
• PSA: 63.32000
• Density: 1.07g/cm³
• LogP: 0.89870
• Storage Temp.: 2-8°C
• Water Solubility.: 280.9g/L(20 oC)
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 117.078978594
• Heavy Atom Count: 8
• Complexity: 97.1

Purity/Quality:

99%, ^*data from raw suppliers

2-Amino-2-methylbutyricacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C(=O)[O-])[NH3+]

Technology Process of 2-azaniumyl-2-methyl-butanoate;D-Isovaline

There total 14 articles about 2-azaniumyl-2-methyl-butanoate;D-Isovaline 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%

N-(tert-butoxycarbonyl)-2-amino-2-methylbutanoic acid (139937-98-7) → DL-isovaline (595-39-1,465-58-7)

Guidance literature:

N-(tert-butoxycarbonyl)-2-amino-2-methylbutanoic acid; With methanesulfonic acid; In dichloromethane; at 25 ℃; for 0.5h;

With triethylamine; In dichloromethane; at 25 ℃; for 0.166667h;

Reference yield: 99.0%

benzyl 2-azido-2-methylbutanoate → DL-isovaline (595-39-1,465-58-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2015.01.041

Reference yield:

→ DL-isovaline (595-39-1,465-58-7)

Guidance literature:

With sulfuric acid; at 120 - 130 ℃;

DOI:10.1016/S0040-4020(00)00414-2

upstream raw materials:

α-ethylalanine ethyl ester

hydrogen cyanide

butanone

ammonium cyanide

Downstream raw materials:

2-methyl-2-phthalimido-butyric acid

α-ethylalanine ethyl ester

2-(((benzyloxy)carbonyl)amino)-2-methylbutanoic acid

butanone

Refernces

• 1、 -. "PROCESS FOR PRODUCING SOLID AMINO ACID". Paragraph 0078; 0079. . Retrieved 2014/12/09.
• 2、 Zil'berman, E. N.,Eremeev, I. V.,Abramov, A. V.. "SYNTHESIS OF α-AMINOAMIDES AND α-AMINO ACIDS FROM α-AMINONITRILES". . p. 1243 - 1247. Retrieved 2007/10/02.