4-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine

Base Information

• Chemical Name: 4-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine
• CAS No.: 212268-44-5
• Molecular Formula: C11H12ClN3
• Molecular Weight: 221.69
• DSSTox Substance ID: DTXSID10334166
• Wikidata: Q82099869
• Mol file: 212268-44-5.mol

Synonyms:4-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine;212268-44-5;4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine;AB3526;7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-cyclopentyl-;SCHEMBL1939828;DTXSID10334166;MFCD09909355;AM807529;AS-44716;A849242;A1-11401

Chemical Property of 4-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine

Chemical Property:

• PSA: 30.71000
• LogP: 3.19980
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 221.0719751
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-D]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(C1)N2C=CC3=C2N=CN=C3Cl

Technology Process of 4-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine

There total 8 articles about 4-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine 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: 75.0%

Cyclopentyl bromide (137-43-9) + 4-chloro-1H-pyrrolo[2,3-d]pyrimidine (3680-69-1) → 4-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine (212268-44-5)

Guidance literature:

4-chloro-1H-pyrrolo[2,3-d]pyrimidine; With sodium hydride; In DMF (N,N-dimethyl-formamide); at 0 ℃; for 0.5h;

Cyclopentyl bromide; In DMF (N,N-dimethyl-formamide); at 20 - 60 ℃; for 4h;

Reference yield: 32.9%

Cyclopentamine (1003-03-8) + 2-(4,6-dichloropyrimidin-5-yl)acetaldehyde (16019-33-3) → 4-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine (212268-44-5)

Guidance literature:

2-(4,6-dichloropyrimidin-5-yl)acetaldehyde; With triethylamine; In ethanol; at 20 ℃; for 0.166667h; Inert atmosphere;

Cyclopentamine; In ethanol; at 90 ℃; Reflux; Inert atmosphere;

DOI:10.1002/anie.201506085

Reference yield: 17.0%

Cyclopentanol (96-41-3) + 7-(benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine (186519-89-1) → 4-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine (212268-44-5)

Guidance literature:

With sodium hydride; potassium carbonate; In toluene; at 110 ℃; for 24h;

DOI:10.1016/S0040-4039(98)01146-0

upstream raw materials:

Cyclopentanol

7-(benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine

4-chloro-1H-pyrrolo[2,3-d]pyrimidine

Cyclopentyl bromide

Downstream raw materials:

4-chloro-7-cyclopentyl-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

C₁₇H₁₈N₄O

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