Purine, 6-chloro-9-(p-methoxyphenyl)-

Base Information

• Chemical Name: Purine, 6-chloro-9-(p-methoxyphenyl)-
• CAS No.: 21313-95-1
• Molecular Formula: C12H9ClN4O
• Molecular Weight: 260.68
• Hs Code.: 2933990090
• NSC Number: 89517
• DSSTox Substance ID: DTXSID60175586
• Nikkaji Number: J51.153F
• Wikidata: Q83045941
• Mol file: 21313-95-1.mol

Synonyms:6-chloro-9-(4-methoxyphenyl)-9h-purine;21313-95-1;Purine, 6-chloro-9-(p-methoxyphenyl)-;9-(p-Anisyl)-6-chloropurine;6-Chloro-9-(p-methoxyphenyl)purine;9H-Purine, 6-chloro-9-(p-methoxyphenyl)-;6-chloro-9-(4-methoxyphenyl)purine;NSC89517;NSC 89517;BRN 2986456;SCHEMBL23436505;DTXSID60175586;NSC-89517;WLN: T56 BN DN FN HNJ DR DO1& IG;C91145;5-26-11-00214 (Beilstein Handbook Reference)

Chemical Property of Purine, 6-chloro-9-(p-methoxyphenyl)-

Chemical Property:

• Vapor Pressure: 3.17E-08mmHg at 25°C
• Boiling Point: 448.2°C at 760 mmHg
• Flash Point: 224.8°C
• PSA: 52.83000
• Density: 1.44g/cm³
• LogP: 2.47750
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 260.0464886
• Heavy Atom Count: 18
• Complexity: 285

Purity/Quality:

97% ^*data from raw suppliers

6-CHLORO-9-(4-METHOXYPHENYL)-9H-PURINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N2C=NC3=C2N=CN=C3Cl

Technology Process of Purine, 6-chloro-9-(p-methoxyphenyl)-

There total 6 articles about Purine, 6-chloro-9-(p-methoxyphenyl)- 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: 83.0%

→ 6-chloro-9-(4-methoxyphenyl)-9H-purine (21313-95-1)

Guidance literature:

With 3-aminopropyltriethoxysilane; In 1,4-dioxane; for 18h; Inert atmosphere; Reflux;

In 1,4-dioxane; N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

Reference yield: 77.4%

9-(p-anisyl)hypoxanthine (21314-04-5) → 6-chloro-9-(4-methoxyphenyl)-9H-purine (21313-95-1)

Guidance literature:

With trichlorophosphate; for 1h; Heating;

Reference yield: 52.0%

4-methoxyphenylboronic acid (5720-07-0) + 6-chloropurine (87-42-3) → 6-chloro-9-(4-methoxyphenyl)-9H-purine (21313-95-1)

Guidance literature:

With Phenanthroline; copper diacetate; In dichloromethane; at 20 ℃; for 96h;

DOI:10.1016/S0040-4039(03)00576-8

upstream raw materials:

9-(p-anisyl)hypoxanthine

4-methoxyphenylboronic acid

6-chloropurine

1-(p-anisyl)-5-aminoimidazole-4-carboxamide

Downstream raw materials:

(2S,3R)-3-Hydroxy-2-[9-(4-methoxy-phenyl)-9H-purin-6-ylamino]-butyric acid

(S)-2-[9-(4-Methoxy-phenyl)-9H-purin-6-ylamino]-succinic acid

(S)-2-[9-(4-Methoxy-phenyl)-9H-purin-6-ylamino]-3-phenyl-propionic acid