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

Base Information

• Chemical Name: 4-chloro-5-iodo-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine
• CAS No.: 213744-81-1
• Molecular Formula: C9H9ClIN3
• Molecular Weight: 321.548
• DSSTox Substance ID: DTXSID80598930
• Wikidata: Q82494745
• Mol file: 213744-81-1.mol

Synonyms:213744-81-1;4-chloro-5-iodo-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine;4-Chloro-5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-iodo-7-(1-methylethyl)-;MFCD12405995;4-Chloro-5-iodo-7-isopropyl-pyrrolo[2,3-d]pyrimidine;4-Chloro-5-iodo-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;SCHEMBL407871;AMY7023;DTXSID80598930;KJHYDYATVCGFKG-UHFFFAOYSA-N;AKOS015918656;BS-41869;DA-39608;SY125546;CS-0037539;W10451;4-chloro-5-iodo-7-isopropylpyrrolo-[2,3-d]pyrimidine;4-chloro-5-iodo-7-isopropylpyrrolo[2,3-d]pyrimidine;4-Chloro-5-iodo-7-isopropyl-pyrrolo[2,3-d]-pyrimidine

Chemical Property of 4-chloro-5-iodo-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine

Chemical Property:

• Boiling Point: 382.7±37.0 °C(Predicted)
• PKA: 2.50±0.30(Predicted)
• PSA: 30.71000
• Density: 1.93±0.1 g/cm3(Predicted)
• LogP: 3.27020
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 320.95297
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-5-iodo-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C=C(C2=C1N=CN=C2Cl)I

Technology Process of 4-chloro-5-iodo-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine

There total 5 articles about 4-chloro-5-iodo-7-isopropyl-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: 100.0%

2-iodo-propane (75-30-9) + 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (123148-78-7) → 4-chloro-5-iodo-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine (213744-81-1)

Guidance literature:

4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine; With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.05h;

2-iodo-propane;

DOI:10.1021/acs.orglett.8b00579

Reference yield: 82.0%

4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (123148-78-7) + isopropyl bromide (75-26-3) → 4-chloro-5-iodo-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine (213744-81-1)

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide; at 70 ℃;

Reference yield:

4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (123148-78-7) + isopropyl alcohol (67-63-0,8013-70-5) → 4-chloro-5-iodo-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine (213744-81-1)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; for 18h;

upstream raw materials:

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

isopropyl bromide

2-iodo-propane

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

Downstream raw materials:

3-(4-chloro-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-5-methylphenol

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