2-(Difluoromethyl)arginine

Base Information

• Chemical Name: 2-(Difluoromethyl)arginine
• CAS No.: 69955-43-7
• Molecular Formula: C₇H₁₄F₂N₄O₂
• Molecular Weight: 224.211
• DSSTox Substance ID: DTXSID00990215
• Nikkaji Number: J643.647A
• Mol file: 69955-43-7.mol

Synonyms:2-(difluoromethyl)arginine;2-difluoromethylarginine;alpha-(difluoromethyl)arginine

Chemical Property of 2-(Difluoromethyl)arginine

Chemical Property:

• Vapor Pressure: 3.4E-09mmHg at 25°C
• Melting Point: >160°C (dec.)
• Refractive Index: 1.536
• Boiling Point: 445.9 °C at 760 mmHg
• Flash Point: 223.5 °C
• PSA: 125.22000
• Density: 1.53 g/cm³
• LogP: 1.18810
• Storage Temp.: Refrigerator
• Solubility.: Methanol (Very Slightly, Heated), Water (Slightly)
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 224.10848203
• Heavy Atom Count: 15
• Complexity: 255

Purity/Quality:

98%Min ^*data from raw suppliers

DL-α-(Difluoromethyl)arginine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(C(F)F)(C(=O)O)N)CN=C(N)N
• Uses: Bacteria synthesize the cellular growth factor putrescine through a number of pathways. alpha-(difluoromethyl)arginine is an enzyme-activated, irreversible inhibitor of the arginine decarboxylases of E. coli (Ki = 800 μM. At 0.01 mm, it has been shown to prevent the osmotic stress-induced increase in arginine decarboxylase activity and putrescine synthesis in oat leaf cells. It is Used for plant growth regulation. Used for plant growth regulation.

Technology Process of 2-(Difluoromethyl)arginine

There total 2 articles about 2-(Difluoromethyl)arginine 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:

2,5-Diamino-2-difluoromethyl-pentanoic acid methyl ester → DL-α-difluoromethylarginine (69955-43-7,77286-88-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HCl

2: aq. NaOH

With hydrogenchloride; sodium hydroxide;

DOI:10.1021/jo01329a029

Reference yield:

2-ethylisothiourea hydrobromide (1071-37-0,133514-72-4) + (+)-α-Difluormethylornithin (66640-93-5) → DL-α-difluoromethylarginine (69955-43-7,77286-88-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jo01329a029

upstream raw materials:

2-ethylisothiourea hydrobromide

(+)-α-Difluormethylornithin