2,6-Dichloro-7-methylpurine

Base Information

• Chemical Name: 2,6-Dichloro-7-methylpurine
• CAS No.: 2273-93-0
• Molecular Formula: C6H4Cl2N4
• Molecular Weight: 203.031
• Hs Code.: 2933990090
• European Community (EC) Number: 869-281-2
• NSC Number: 7853
• DSSTox Substance ID: DTXSID40177265
• Nikkaji Number: J113.492B
• Wikidata: Q72466851
• ChEMBL ID: CHEMBL1707176
• Mol file: 2273-93-0.mol

Synonyms:2,6-Dichloro-7-methylpurine;2273-93-0;2,6-Dichloro-7-methyl-7H-purine;7H-Purine, 2,6-dichloro-7-methyl-;Purine, 2,6-dichloro-7-methyl-;C6H4Cl2N4;NSC 7853;BRN 0174289;MLS002638028;MFCD00039690;5-26-11-00258 (Beilstein Handbook Reference);2,6-dichloro-7-methyl-purine;NSC7853;Purine,6-dichloro-7-methyl-;SCHEMBL183091;C6-H4-Cl2-N4;CHEMBL1707176;DTXSID40177265;7H-Purine,6-dichloro-7-methyl-;HMS3093O20;2,6 dichloro-7-methyl-7H-purine;7-methyl-2,6-dichloro-7H-purine;AMY20143;NSC-7853;STK869238;2,6-bis(chloranyl)-7-methyl-purine;2 pound not6-Dichloro-7-methylpurine;AKOS005263779;CS-W002180;DS-0931;PB48618;SMR001547530;SY008155;LS-126512;FT-0601217;2,6-Dichloro-7-methyl-7H-purine, AldrichCPR;EN300-197614;A816332;AG-687/20226061;W-206779;Z1269213709

Chemical Property of 2,6-Dichloro-7-methylpurine

Chemical Property:

• Appearance/Colour: Off-white crystalline powder
• Vapor Pressure: 0.000733mmHg at 25°C
• Melting Point: 195.5-196 °C
• Refractive Index: 1.76
• Boiling Point: 307.247 °C at 760 mmHg
• PKA: -2.04±0.30(Predicted)
• Flash Point: 139.6 °C
• PSA: 43.60000
• Density: 1.76 g/cm³
• LogP: 1.67010
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 201.9813015
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

2,6-DICHLORO-7-METHYLPURINE ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=C1C(=NC(=N2)Cl)Cl
• Uses: 2,6-DICHLORO-7-METHYLPURINE is used in the preparation and discover of novel mTOR INHIBITORS.

Technology Process of 2,6-Dichloro-7-methylpurine

There total 10 articles about 2,6-Dichloro-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: 95.0%

theobromine / (83-67-0) → 2,6-dichloro-7-methylpurine (2273-93-0)

Guidance literature:

With trichlorophosphate; phosphorus trichloride;

DOI:10.1007/BF02256849

Reference yield: 90.0%

2,6 dichloropurine (5451-40-1) + methyl iodide (74-88-4) → 2,6-dichloro-7-methylpurine (2273-93-0)

Guidance literature:

2,6 dichloropurine; With methylmagnesium chloride; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; at 50 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b02994

Reference yield: 66.0%

2,6 dichloropurine (5451-40-1) + methyl iodide (74-88-4) → 2,6-dichloro-9-methyl-9H-purine (2382-10-7) + 2,6-dichloro-7-methylpurine (2273-93-0)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 70h;

upstream raw materials:

theobromine /

7-methylxanthine

trichlorophosphate

2,6 dichloropurine

Downstream raw materials:

2,6-diethoxy-7-methylpurine

2-chloro-6-hydroxyethylamino-7-methylpurine

2,6,8-trichloro-7-methylpurine

2-Chlor-6-hydrazino-7-methyl-purin