4-Chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

Base Information

• Chemical Name: 4-Chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
• CAS No.: 82703-38-6
• Molecular Formula: C8H8ClN3
• Molecular Weight: 181.625
• European Community (EC) Number: 820-330-6
• ChEMBL ID: CHEMBL315190
• Nikkaji Number: J1.381.171G
• Mol file: 82703-38-6.mol

Synonyms:4-Chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;82703-38-6;CHEMBL315190;SCHEMBL1895093;NVVPXBSOUBMECG-UHFFFAOYSA-N;MFCD13189407;AB68354;AS-79894;CS-0035930;EN300-260296;W10456;4-chioro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]-pyrimidine;Z1255392368

Chemical Property of 4-Chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

Chemical Property:

• PSA: 41.57000
• LogP: 2.22810
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 181.0406750
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-5,6-dimethyl-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: CC1=C(NC2=C1C(=NC=N2)Cl)C

Technology Process of 4-Chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

There total 1 articles about 4-Chloro-5,6-dimethyl-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: 53.1%

4-Chlor-5,6-dimethyl-7-(DL-1-phenylethyl)-7H-pyrrolo<2,3-d>pyrimidin (103026-33-1) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 4-chloro-5,6-dimethyl-7H-pyrrolo<2,3-d>pyrimidine (82703-38-6)

Guidance literature:

With PPA; at 60 ℃; for 1.5h;

Reference yield: 65.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 4-chloro-5,6-dimethyl-7H-pyrrolo<2,3-d>pyrimidine (82703-38-6) → 5,6-dimethyl-4-(4-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 135 - 140 ℃; for 72h;

DOI:10.1016/j.bioorg.2018.09.001

Reference yield: 60.0%

4-chloro-5,6-dimethyl-7H-pyrrolo<2,3-d>pyrimidine (82703-38-6) + N-acetyl-p-phenylenediamine (122-80-5) → N-(4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl)acetamide

Guidance literature:

With hydrogenchloride; In water; butan-1-ol; for 24h; Reflux;

DOI:10.1016/j.bioorg.2018.09.001

upstream raw materials:

4-Chlor-5,6-dimethyl-7-(DL-1-phenylethyl)-7H-pyrrolo<2,3-d>pyrimidin

Downstream raw materials:

4-(3-Nitrophenoxy)-5,6-dimethyl-7H-pyrrolo[2,3-d]-pyrimidine

C₁₄H₁₁F₂N₃O