Arprinocid

Base Information

• Chemical Name: Arprinocid
• CAS No.: 55779-18-5
• Molecular Formula: C12H9ClFN5
• Molecular Weight: 277.688
• European Community (EC) Number: 259-817-8
• UNII: 6A0XTA8ZUH
• DSSTox Substance ID: DTXSID3057773
• Nikkaji Number: J11.852D
• Wikipedia: Arprinocid
• Wikidata: Q4795760
• NCI Thesaurus Code: C166922
• ChEMBL ID: CHEMBL321993
• Mol file: 55779-18-5.mol

Synonyms:9-(2-chloro-6-fluorobenzyl)adenine;Arpocox;arprinocid;ICI 123487;ICI-123487;MK 302;MK-302

Chemical Property of Arprinocid

Chemical Property:

• Vapor Pressure: 2.62E-10mmHg at 25°C
• Melting Point: 245-246°
• Refractive Index: 1.732
• Boiling Point: 504.6 °C at 760 mmHg
• PKA: 3.91±0.10(Predicted)
• Flash Point: 259 °C
• PSA: 69.62000
• Density: 1.59 g/cm³
• LogP: 2.83050
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 277.0530512
• Heavy Atom Count: 19
• Complexity: 321

Purity/Quality:

98%,99%, ^*data from raw suppliers

Arprinocid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(N=CN=C32)N)F
• Uses: Arprinocide can be used as a Coccidiostat used in veterinary medicine.

Technology Process of Arprinocid

There total 6 articles about Arprinocid 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: 84.5%

→ 9-(2-chloro-6-fluorobenzyl)adenine (55779-18-5)

Guidance literature:

Reference yield: 79.8%

2-chloro-6 fluorobenzyl chloride (55117-15-2) + adenine (66224-66-6,66224-67-7,66224-68-8,66224-69-9,134434-48-3,134434-49-4,134454-76-5,134461-75-9) → 9-(2-chloro-6-fluorobenzyl)adenine (55779-18-5)

Guidance literature:

adenine; With sodium hydroxide; In water; at 50 ℃;

2-chloro-6 fluorobenzyl chloride; In N,N-dimethyl-formamide; at 10 - 60 ℃; for 2h; Solvent; Temperature;

Reference yield: 42.0%

4-amino-6-(2-chloro-6-fluorobenzyl)amino-5-phenylazopyrimidine → 9-(2-chloro-6-fluorobenzyl)adenine (55779-18-5)

Guidance literature:

In sodium hydroxide; chloroform; formamide;

upstream raw materials:

sodium adeninate

2-chloro-6 fluorobenzyl chloride

adenine

Downstream raw materials:

9-(2-chloro-6-fluorobenzyl)-6-dimethylaminopurine

9-(2-chloro-6-fluorobenzyl)-1-methyladenine hydroiodide

9-(2-chloro-6-fluorobenzyl)purin-6(1H)-one

9-(2-chloro-6-fluorobenzyl)-6-sec-butylaminopurine

Refernces

• 1、 -. "Preparation method for high-purity 9-[(2-chloro-6-fluorophenyl)methyl]-9H-purine-6-amine". Paragraph 0019-0028. . Retrieved 2018/11/03.
• 2、 -. "Production of purine derivatives and intermediates therefor". . . Retrieved 2008/06/13.