6-Chloro-7-methylpurine

Base Information

• Chemical Name: 6-Chloro-7-methylpurine
• CAS No.: 5440-17-5
• Molecular Formula: C6H5ClN4
• Molecular Weight: 168.585
• Hs Code.: 2933990090
• European Community (EC) Number: 695-391-3
• NSC Number: 15192
• UNII: 3373NFV6YH
• DSSTox Substance ID: DTXSID40202788
• Nikkaji Number: J1.698.157E
• Wikidata: Q83076105
• ChEMBL ID: CHEMBL2068772
• Mol file: 5440-17-5.mol

Synonyms:6-chloro-7-methylpurine

Chemical Property of 6-Chloro-7-methylpurine

Chemical Property:

• Appearance/Colour: light green solid
• Vapor Pressure: 0.000293mmHg at 25°C
• Melting Point: 175-185 °C
• Refractive Index: 1.743
• Boiling Point: 321.7 °C at 760 mmHg
• PKA: 0.65±0.30(Predicted)
• Flash Point: 148.4 °C
• PSA: 43.60000
• Density: 1.59 g/cm³
• LogP: 1.01670
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 168.0202739
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

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

6-Chloro-7-methylpurine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=C1C(=NC=N2)Cl
• Uses: 6-CHLORO-7-METHYLPURINE is a useful synthetic intermediate.

Technology Process of 6-Chloro-7-methylpurine

There total 19 articles about 6-Chloro-7-methylpurine 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: 99.0%

6-chloro-7,8-dihydro-7-methyl-9-tritylpurine (1258274-87-1) → 6-chloro-7-methyl-7H-purine (5440-17-5)

Guidance literature:

6-chloro-7,8-dihydro-7-methyl-9-tritylpurine; With trifluoroacetic acid; In dichloromethane; at 0 ℃; for 4h; Inert atmosphere;

With triethylamine; In dichloromethane;

DOI:10.1021/ol1025525

Reference yield: 95.0%

6-chloropurine (87-42-3) + methyl iodide (74-88-4) → 6-chloro-7-methyl-7H-purine (5440-17-5)

Guidance literature:

6-chloropurine; With methylmagnesium chloride; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; at 50 ℃; for 5h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b02994

Reference yield: 66.0%

6-chloropurine (87-42-3) + methyl iodide (74-88-4) → 6-chloro-7-methyl-7H-purine (5440-17-5) + 6-chloro-9-methyl-9H-purine (2346-74-9)

Guidance literature:

With sodium hydride;

DOI:10.1016/S0040-4020(02)00186-2

upstream raw materials:

7-methyl-1,7-dihydro-purin-6-one

6-chloropurine

methyl iodide

5-amino-3-methyl-3H-imidazole-4-carboxylic acid amide; hydrochloride

Downstream raw materials:

7-Methyl-6-thiopurin

(4-bromo-phenyl)-(7-methyl-7H-purin-6-yl)-amine

7-methyladenine

6-(2-hydroxy-3-methylbenzylamino)-7-methylpurine

Refernces

• 1、 -. "ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF". Paragraph 0498. . Retrieved 2019/03/17.
• 2、 -. "OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS". . . Retrieved 2019/09/30.