DL-Valine

Base Information

• Chemical Name: DL-Valine
• CAS No.: 516-06-3
• Molecular Formula: C5H11NO2
• Molecular Weight: 117.148
• Hs Code.: 2922.49
• Mol file: 516-06-3.mol

Synonyms:Valine, DL- (8CI);(RS)-Valine;DL-Val;DL-a-Aminoisovaleric acid;NSC 9755;

Chemical Property of DL-Valine

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 0.0633mmHg at 25°C
• Melting Point: 283.5 - 285 °C
• Refractive Index: 1.461
• Boiling Point: 213.642 °C at 760 mmHg
• PKA: pK1:2.32(+1);pK2:9.61(0) (25°C)
• Flash Point: 83.008 °C
• PSA: 63.32000
• Density: 1.064 g/cm³
• LogP: 0.75460
• Storage Temp.: Store at RT.
• Solubility.: Water (Slightly, Sonicated)
• Water Solubility.: 68 g/L
• 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: 84.9

Purity/Quality:

98.9% ^*data from raw suppliers

DL-Valine 99+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 22-24/25-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of DL-Valine

There total 56 articles about DL-Valine 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: 70.0%

2--3-methylbutyronitrile (70591-23-0) → D,L-valine (516-06-3,25609-85-2,7004-03-7,921-10-8)

Guidance literature:

2--3-methylbutyronitrile; With hydrogenchloride; at 25 ℃; for 12h;

With hydrogenchloride; for 12h; Heating;

DOI:10.1002/(SICI)1099-1344(199812)41:12<1145::AID-JLCR159>3.0.CO;2-2

Reference yield: 63.0%

phenyl isocyanate (1197040-29-1,931-54-4) → D,L-valine (516-06-3,25609-85-2,7004-03-7,921-10-8)

Guidance literature:

In hydrogen bromide; for 4h; Heating;

DOI:10.1016/S0040-4039(01)82922-1

Reference yield: 60.0%

2-hydroxy-3-methylbutanoic acid (4026-18-0,17407-55-5,17407-56-6,600-37-3) → D,L-valine (516-06-3,25609-85-2,7004-03-7,921-10-8)

Guidance literature:

With ammonium hydroxide; hydrogen; at 219.84 ℃; for 2h; under 7500.75 Torr; Reagent/catalyst; Autoclave;

DOI:10.1073/pnas.1800272115

upstream raw materials:

4-isopropylidene-2-thioxo-thiazolidin-5-one

2-chloro-3-methylbutanoic acid

2-bromoisovaleric acid

2-isopropyl-malonamic acid

Downstream raw materials:

4-isopropyl-2,5-oxazolidinedione

N-butyrylvaline

(+/-)-N-(2-Thenyl)valin

Glycylvaline

Refernces

• 1、 Xie, Zhenbing,Chen, Bingfeng,Peng, Fangfang,Liu, Mingyang,Liu, Huizhen,Yang, Guanying,Han, Buxing. "Highly Efficient Synthesis of Amino Acids by Amination of Bio-Derived Hydroxy Acids with Ammonia over Ru Supported on N-Doped Carbon Nanotubes". . p. 5683 - 5689. Retrieved 2020/09/21.
• 2、 Deng, Weiping,Wang, Yunzhu,Zhang, Sui,Gupta, Krishna M.,Hülsey, Max J.,Asakura, Hiroyuki,Liu, Lingmei,Han, Yu,Karp, Eric M.,Beckham, Gregg T.,Dyson, Paul J.,Jiang, Jianwen,Tanaka, Tsunehiro,Wang, Ye,Yan, Ning. "Catalytic amino acid production from biomass-derived intermediates". . p. 5093 - 5098. Retrieved 2018/05/23.