4-(Ethylsulfanyl)-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde

Base Information

• Chemical Name: 4-(Ethylsulfanyl)-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde
• CAS No.: 89177-10-6
• Molecular Formula: C15H13N3OS
• Molecular Weight: 283.354
• DSSTox Substance ID: DTXSID60535803
• Wikidata: Q82410222

Synonyms:89177-10-6;4-(Ethylthio)-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;DXNLRPADXKZGFJ-UHFFFAOYSA-;DTXSID60535803;4-(Ethylsulfanyl)-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;InChI=1/C15H13N3OS/c1-2-20-15-13-12(11(9-19)8-16-13)17-14(18-15)10-6-4-3-5-7-10/h3-9,16H,2H2,1H3

Chemical Property of 4-(Ethylsulfanyl)-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 283.07793322
• Heavy Atom Count: 20
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=NC(=NC2=C1NC=C2C=O)C3=CC=CC=C3

Technology Process of 4-(Ethylsulfanyl)-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde

There total 2 articles about 4-(Ethylsulfanyl)-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde 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: 59.0%

ethyl bromide (74-96-4) + 2-Phenyl-4-mercaptopyrrolo<3,2-d>pyrimidine-7-aldehyde (93587-30-5) → 3-formyl-5-phenyl-7-ethylthiopyrrolo<3,2-d>pyrimidine (89177-10-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1007/BF00779278

Reference yield:

4-Chloro-2-phenylpyrrolo<3,2-d>-pyrimidine-7-carboxaldehyde (75682-07-4) → 3-formyl-5-phenyl-7-ethylthiopyrrolo<3,2-d>pyrimidine (89177-10-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 85.3 percent / thiourea / ethanol / 6 h / Heating

2: 59 percent / 2percent aq. NaOH

With sodium hydroxide; thiourea; In ethanol;

DOI:10.1007/BF00779278

Reference yield: 96.0%

3-formyl-5-phenyl-7-ethylthiopyrrolo<3,2-d>pyrimidine (89177-10-6) + benzyl chloroformate (501-53-1,94274-21-2) → 1-benzyloxycarbonyl-3-formyl-5-phenyl-7-ethylthiopyrrolo<3,2-d>pyrimidine (89177-12-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; 1) 3-5 deg C, 0.5 h; 2) room temperature, 2 h;

DOI:10.1007/BF00515354

upstream raw materials:

ethyl bromide

2-Phenyl-4-mercaptopyrrolo<3,2-d>pyrimidine-7-aldehyde

4-Chloro-2-phenylpyrrolo<3,2-d>-pyrimidine-7-carboxaldehyde

Downstream raw materials:

1-benzyloxycarbonyl-3-formyl-5-phenyl-7-ethylthiopyrrolo<3,2-d>pyrimidine

1-isobutoxycarbonyl-3-formyl-5-phenyl-7-ethylthiopyrrolo<3,2-d>pyrimidine

trans-2-(1-isobutoxycarbonyl-5-phenyl-7-ethylthiopyrrolo<3,2-d>pyrimidin-3-yl)-4-methyl-1,3-dioxolane

cis-2-(1-isobutoxycarbonyl-5-phenyl-7-ethylthiopyrrolo<3,2-d>pyrimidin-3-yl)-4-methyl-1,3-dioxolane

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