beta-Lysine

Base Information

• Chemical Name: beta-Lysine
• CAS No.: 4299-56-3
• Molecular Formula: C6H14N2O2
• Molecular Weight: 146.189
• Hs Code.: 2922499990
• UNII: 57PAY56Q9J
• DSSTox Substance ID: DTXSID20962838
• Nikkaji Number: J82.145D
• Wikipedia: Beta-Lysine
• Wikidata: Q2930104
• Mol file: 4299-56-3.mol

Synonyms:3,6-diaminohexanoic acid;beta-lysine;beta-lysine, (R)-isomer;beta-lysine, (S)-isomer

Chemical Property of beta-Lysine

Chemical Property:

• Vapor Pressure: 6.99E-05mmHg at 25°C
• Refractive Index: 1.503
• Boiling Point: 319.6 °C at 760 mmHg
• Flash Point: 147.1 °C
• PSA: 89.34000
• Density: 1.125 g/cm³
• LogP: 0.92790
• XLogP3: -3.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 146.105527694
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(CC(=O)O)N)CN

Technology Process of beta-Lysine

There total 8 articles about beta-Lysine 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: 93.0%

2-(1,2-bis((benzyloxy)carbonyl)-1,2,3,6-tetrahydropyridazin-3-yl)acetic acid → (±)-β-lysine (4299-56-3)

Guidance literature:

With platinum(IV) oxide; hydrogen; acetic acid; for 96h; under 760.051 Torr;

DOI:10.3987/COM-19-S(F)38

Reference yield: 90.0%

dibenzyl 3-(2-ethoxy-2-oxoethyl)-3.6-dihydropyridazine-1,2-dicarboxylate → (±)-β-lysine (4299-56-3)

Guidance literature:

dibenzyl 3-(2-ethoxy-2-oxoethyl)-3.6-dihydropyridazine-1,2-dicarboxylate; With platinum(IV) oxide; hydrogen; acetic acid; for 120h; under 760.051 Torr;

With hydrogenchloride; water; at 60 ℃; for 48h;

DOI:10.3987/COM-19-S(F)38

Reference yield:

(E)-hexa-3,5-dien-1-ol (73670-87-8) → (±)-β-lysine (4299-56-3)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether; dichloromethane; toluene / 22 h / 20 °C

2: sodium chlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hypochlorite / aq. phosphate buffer; acetonitrile / 3 h / 0 - 20 °C / pH 7

3: platinum(IV) oxide; acetic acid; hydrogen / 96 h / 760.05 Torr

With platinum(IV) oxide; sodium hypochlorite; sodium chlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; hydrogen; acetic acid; In aq. phosphate buffer; diethyl ether; dichloromethane; toluene; acetonitrile;

DOI:10.3987/COM-19-S(F)38

upstream raw materials:

3,6-bis(1,3-dioxo-1,3-dihydroisoindol-2-yl)hexanoic acid methyl ester

3,6-dibromo-hexanoic acid

(2E,4E)-ethyl hexa-2,4-dienoate

ethyl (E)-3,5-hexadienoate

Refernces