7-Benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine

Base Information

• Chemical Name: 7-Benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
• CAS No.: 16019-34-4
• Molecular Formula: C13H10ClN3
• Molecular Weight: 243.695
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80569786
• Nikkaji Number: J977.997C
• Wikidata: Q82457011
• Mol file: 16019-34-4.mol

Synonyms:16019-34-4;7-Benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-BENZYL-4-CHLORO-7H-PYRROLO[2,3-D] PYRIMIDINE;7-BENZYL-4-CHLOROPYRROLO[2,3-D]PYRIMIDINE;MFCD09953011;9-Benzyl-6-chloro-7-deazapurine;SCHEMBL3541053;DTXSID80569786;KMWWCJXJJNHTQL-UHFFFAOYSA-N;AB3073;AKOS025404368;DS-10111;SY104805;CS-0156310;7-Benzyl-4-chloro-7H-pyrrolo[2.3-d]pyrimidine;A906589

Chemical Property of 7-Benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine

Chemical Property:

• PSA: 30.71000
• LogP: 3.13300
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 243.0563250
• Heavy Atom Count: 17
• Complexity: 255

Purity/Quality:

97% ^*data from raw suppliers

7-Benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=CC3=C2N=CN=C3Cl

Technology Process of 7-Benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine

There total 5 articles about 7-Benzyl-4-chloro-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: 92.0%

benzyl chloride (100-44-7) + 4-chloro-1H-pyrrolo[2,3-d]pyrimidine (3680-69-1) → 7-benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine (16019-34-4)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 20 - 70 ℃; for 18.5h;

DOI:10.1021/jm00019a019

Reference yield: 62.0%

7-(benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine (186519-89-1) + benzyl alcohol (100-51-6,185532-71-2) → 7-benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine (16019-34-4)

Guidance literature:

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

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

Reference yield:

benzyl bromide (100-39-0) + 4-chloro-1H-pyrrolo[2,3-d]pyrimidine (3680-69-1) → 7-benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine (16019-34-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 4h;

DOI:10.1016/j.bmc.2012.07.035

upstream raw materials:

benzyl chloride

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

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

benzyl alcohol

Downstream raw materials:

7-benzyl-4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine

7-benzyl-4-phenyl-7H-pyrrolo[2, 3-d]pyrimidine

C₁₉H₁₆N₄O