4-Chloro-6-iodo-7-phenylsulfonyl-7H-pyrrolo[2,3-d]pyrimidine

Base Information

• Chemical Name: 4-Chloro-6-iodo-7-phenylsulfonyl-7H-pyrrolo[2,3-d]pyrimidine
• CAS No.: 876343-09-8
• Molecular Formula: C12H7ClIN3O2S
• Molecular Weight: 419.63
• Hs Code.: 2933599590
• Mol file: 876343-09-8.mol

Synonyms:7-(Benzenesulfonyl)-4-chloro-6-iodo-pyrrolo[2,3-d]pyrimidine;Y4440;C-8572;4-chloro-6-iodo-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine;

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

Chemical Property:

• Boiling Point: 564.2±60.0 °C(Predicted)
• PKA: 1.23±0.30(Predicted)
• PSA: 73.23000
• Density: 2.02±0.1 g/cm3(Predicted)
• LogP: 4.00710
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

99%, ^*data from raw suppliers

7-(Benzenesulfonyl)-4-chloro-6-iodo-7h-pyrrolo[2,3-D]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

There total 7 articles about 4-Chloro-6-iodo-7-phenylsulfonyl-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: 81.0%

7-(benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine (186519-89-1) → 7-(benzenesulfonyl)-4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine (876343-09-8)

Guidance literature:

7-(benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 - -55 ℃; for 1h; Inert atmosphere; Schlenk technique;

With iodine; In tetrahydrofuran; hexane; at -78 ℃; for 1.5h; Inert atmosphere; Schlenk technique;

DOI:10.1002/cmdc.201402252

Reference yield:

7-deazahypoxanthine (3680-71-5) → 7-(benzenesulfonyl)-4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine (876343-09-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: trichlorophosphate / 6 h / 90 °C

2.1: sodium t-butanolate / tetrahydrofuran / 2 h / 10 - 22 °C

3.1: lithium diisopropyl amide / tetrahydrofuran; n-heptane; ethylbenzene / 1 h / -78 °C / Inert atmosphere

3.2: 1 h

With sodium t-butanolate; lithium diisopropyl amide; trichlorophosphate; In tetrahydrofuran; n-heptane; ethylbenzene;

Reference yield:

Allopurinol (3680-71-5) → 7-(benzenesulfonyl)-4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine (876343-09-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: trichlorophosphate / Heating

2.1: sodium t-butanolate

3.1: lithium diisopropyl amide

3.2: -78 °C

With sodium t-butanolate; lithium diisopropyl amide; trichlorophosphate;

DOI:10.1016/j.ejps.2014.04.011

upstream raw materials:

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

Allopurinol

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

7-deazahypoxanthine

Downstream raw materials:

tert-butyl 4-(4-chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-5,6-dihydropyridine-1(2H)-carboxylate

4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine

tert-butyl (2R)-4-[7-(benzenesulfonyl)-6-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxylate

tert-butyl (2R)-4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d] pyrimidin-4-yl]-2-methyl-piperazine-1-carboxylate

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