4-Chloro-7-(2-methoxyethyl)-7H-pyrrolo[2,3-D]pyrimidine

Base Information

• Chemical Name: 4-Chloro-7-(2-methoxyethyl)-7H-pyrrolo[2,3-D]pyrimidine
• CAS No.: 186519-95-9
• Molecular Formula: C₉H₁₀ClN₃O
• Molecular Weight: 211.651
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70572426
• Nikkaji Number: J977.996E
• Wikidata: Q82460787
• Mol file: 186519-95-9.mol

Synonyms:4-CHLORO-7-(2-METHOXYETHYL)-7H-PYRROLO[2,3-D]PYRIMIDINE;186519-95-9;4-chloro-7-(2-methoxyethyl)pyrrolo[2,3-d]pyrimidine;NYTHDOGSBSFBIR-UHFFFAOYSA-N;AB3545;SCHEMBL7024298;DTXSID70572426;MFCD09909361;AKOS027252500;AS-44720;A1-26958;4-chloro-7-(2-methoxy-ethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-chloro7-(2-methoxy-ethyl)-7H-pyrrolo[2,3-d]pyrimidine

Chemical Property of 4-Chloro-7-(2-methoxyethyl)-7H-pyrrolo[2,3-D]pyrimidine

Chemical Property:

• PSA: 39.94000
• LogP: 1.73110
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 211.0512396
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

4-Chloro-7-(2-methoxyethyl)-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: COCCN1C=CC2=C1N=CN=C2Cl

Technology Process of 4-Chloro-7-(2-methoxyethyl)-7H-pyrrolo[2,3-D]pyrimidine

There total 2 articles about 4-Chloro-7-(2-methoxyethyl)-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: 56.0%

2-methoxy-ethanol (109-86-4,95507-80-5) + 7-(benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine (186519-89-1) → 4-chloro-7-(2-methoxy-ethyl)-7H-pyrrolo[2,3-d]pyrimidine (186519-95-9)

Guidance literature:

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

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

Reference yield:

4-chloro-1H-pyrrolo[2,3-d]pyrimidine (3680-69-1) → 4-chloro-7-(2-methoxy-ethyl)-7H-pyrrolo[2,3-d]pyrimidine (186519-95-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / tetrahydrofuran

2: 56 percent / NaH, K₂CO₃ / toluene / 24 h / 110 °C

With sodium hydride; potassium carbonate; In tetrahydrofuran; toluene;

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

upstream raw materials:

2-methoxy-ethanol

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

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

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