Methyl 4-[(6-chloro-9h-purin-9-yl)methyl]benzoate

Base Information

• Chemical Name: Methyl 4-[(6-chloro-9h-purin-9-yl)methyl]benzoate
• CAS No.: 92103-06-5
• Molecular Formula: C₁₄H₁₁ClN₄O₂
• Molecular Weight: 302.72
• NSC Number: 83961
• DSSTox Substance ID: DTXSID40292583
• Wikidata: Q82030945
• ChEMBL ID: CHEMBL1878653

Synonyms:92103-06-5;MLS002694525;methyl 4-[(6-chloro-9h-purin-9-yl)methyl]benzoate;NSC83961;NCIOpen2_009264;CHEMBL1878653;DTXSID40292583;HMS3085D08;NSC-83961;SMR001560451

Chemical Property of Methyl 4-[(6-chloro-9h-purin-9-yl)methyl]benzoate

Chemical Property:

• Vapor Pressure: 1.69E-10mmHg at 25°C
• Boiling Point: 509.5°Cat760mmHg
• Flash Point: 261.9°C
• Density: 1.44g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 302.0570533
• Heavy Atom Count: 21
• Complexity: 376

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3Cl

Technology Process of Methyl 4-[(6-chloro-9h-purin-9-yl)methyl]benzoate

There total 1 articles about Methyl 4-[(6-chloro-9h-purin-9-yl)methyl]benzoate 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:

→ 6-Chlor-9-<4-methoxycarbonyl-benzyl>-purin (92103-06-5)

Guidance literature:

6-Chlor-purin, 4-Brommethyl-benzoesaeure-methylester, K2CO3, DMF, neben geringer Menge des entspr. 7-subst. Deriv.;

DOI:10.1002/jps.2600521005

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