2-[(2-Amino-3-methylbutanoyl)amino]-3-hydroxypropanoic acid

Base Information

• Chemical Name: 2-[(2-Amino-3-methylbutanoyl)amino]-3-hydroxypropanoic acid
• CAS No.: 13588-94-8
• Molecular Formula: C8H16 N2 O4
• Molecular Weight: 204.226
• Hs Code.: 2924199090
• European Community (EC) Number: 803-017-9
• NSC Number: 524462,339921
• DSSTox Substance ID: DTXSID20929168
• Mol file: 13588-94-8.mol

Synonyms:val-ser;2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxypropanoic acid;13588-94-8;H-Val-Ser-OH;Valylserine;valyl-serine;Valser;NSC524462;SCHEMBL6674368;DTXSID20929168;CHEBI:177274;STTYIMSDIYISRG-UHFFFAOYSA-N;VS;NSC339921;AKOS010402906;NSC-339921;NSC-524462;FT-0695355;N-(2-Amino-1-hydroxy-3-methylbutylidene)serine

Chemical Property of 2-[(2-Amino-3-methylbutanoyl)amino]-3-hydroxypropanoic acid

Chemical Property:

• Vapor Pressure: 7.35E-11mmHg at 25°C
• Boiling Point: 471.2°Cat760mmHg
• PKA: 2.96±0.10(Predicted)
• Flash Point: 238.8°C
• PSA: 112.65000
• Density: 1.249g/cm³
• LogP: -0.37740
• Storage Temp.: −20°C
• Solubility.: Methanol (Slightly, Heated), Water (Slightly, Sonicated)
• XLogP3: -4.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 204.11100700
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

98%min ^*data from raw suppliers

H-Val-Ser-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)NC(CO)C(=O)O)N

Technology Process of 2-[(2-Amino-3-methylbutanoyl)amino]-3-hydroxypropanoic acid

There total 2 articles about 2-[(2-Amino-3-methylbutanoyl)amino]-3-hydroxypropanoic acid 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:

L-serin (56-45-1,83245-15-2) + (S)-4-isopropyloxazolidine-2,5-dione (24601-74-9) → val-ser (13588-94-8)

Guidance literature:

Multistep reaction; (i) aq. K₂B₄O₇, (ii) /BRN= 81948/, aq. KOH, (iii) H₂SO₄;

DOI:10.1021/jo01286a030

Reference yield:

→ val-ser (13588-94-8)

Guidance literature:

Reference yield:

val-ser (13588-94-8) → L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) + L-serin (56-45-1,83245-15-2)

Guidance literature:

With zinc(II) chloride; In various solvent(s); at 50 ℃; pH=7.0; Further Variations:; Reagents; Kinetics;

DOI:10.1039/b209565c

upstream raw materials:

L-serin

(S)-4-isopropyloxazolidine-2,5-dione

Downstream raw materials:

L-valine

L-serin