Kynuramine

Base Information

• Chemical Name: Kynuramine
• CAS No.: 363-36-0
• Molecular Formula: C9H12 N2 O
• Molecular Weight: 164.207
• Hs Code.: 2922399090
• UNII: 2WR44BV65E
• DSSTox Substance ID: DTXSID70189836
• Nikkaji Number: J11.531B
• Wikidata: Q27140555
• Metabolomics Workbench ID: 41944
• ChEMBL ID: CHEMBL23319
• Mol file: 363-36-0.mol

Synonyms:2,3 Diaminopropiophenone;2,3-Diaminopropiophenone;Diaminopropiophenone;Kynuramine

Chemical Property of Kynuramine

Chemical Property:

• Vapor Pressure: 0.000113mmHg at 25°C
• Melting Point: 175-177 °C
• Boiling Point: 336.3°Cat760mmHg
• PKA: 8.40±0.10(Predicted)
• Flash Point: 157.2°C
• PSA: 69.11000
• Density: 1.144g/cm³
• LogP: 2.08180
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

98%min ^*data from raw suppliers

KYNURAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)CCN)N

Technology Process of Kynuramine

There total 7 articles about Kynuramine 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: 94.0%

L-kynurenine (343-65-7,2922-83-0,3039-10-9,13441-51-5) → kynuramine (363-36-0)

Guidance literature:

With pyridoxal 5'-phosphate; aromatic L-amino acid decarboxylase; In various solvent(s); at 30 ℃; for 48h;

Reference yield:

L-kynurenine (2922-83-0) → kynuramine (363-36-0)

Guidance literature:

With NH₄OH-NH₄Cl buffer; pyridoxal 5'-phosphate; at 30 ℃; for 0.5h; relative rate of CO₂ evolution by aromatic L-amino acid decarboxylase from Micrococcus percitreus;

Reference yield:

2-[3-(2-amino-phenyl)-3-oxo-propyl]-1,1-dioxo-1λ6-benz[d]isothiazol-3-one (131620-12-7) → kynuramine (363-36-0)

Guidance literature:

With hydrogenchloride; acetic acid; at 150 ℃;

upstream raw materials:

N-[3-(2-amino-phenyl)-3-oxo-propyl]-phthalimide

2-[3-(2-amino-phenyl)-3-oxo-propyl]-1,1-dioxo-1λ⁶-benz[d]isothiazol-3-one

L-kynurenine

L-kynurenine

Downstream raw materials:

N-(3-(2-aminophenyl)-3-oxopropyl)-2,2,2-trifluoroacetamide

quinolin-4-ol

ascididemin

6-<2-(3-trifluoroacetamidopropanoyl)anilino>-5,8-quinoline quinone

Refernces

• 1、 Nakazawa, Hidetsugu,Kumagai, Hidehiko,Yamada, Hideaki. "Aromatic L-Amino Acid Decarboxylase from Micrococcus percitreus Purification, Crystallization and Properties". . p. 2543 - 2552. Retrieved 2007/10/02.