7h-Pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

Base Information

• Chemical Name: 7h-Pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
• CAS No.: 1060815-89-5
• Molecular Formula: C7H5N3O
• Molecular Weight: 147.13400
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80597741
• Wikidata: Q82493379
• Mol file: 1060815-89-5.mol

Synonyms:7h-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1060815-89-5;7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBOXALDEHYDE;MFCD13189361;SCHEMBL3434268;DTXSID80597741;AMY35129;AKOS016005324;AB68264;CS-W022542;DS-3953;SY099435;DB-350760;EN300-193949;P11636;A895866;7H-Pyrrolo[2 pound not3-d]pyrimidine-5-carbaldehyde;Z1255425239

Chemical Property of 7h-Pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

Chemical Property:

• PSA: 58.64000
• LogP: 0.77040
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 147.043261791
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

7H-Pyrrolo[2,3-d]pyrimidine-5-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C2=CN=CN=C2N1)C=O

Technology Process of 7h-Pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

There total 1 articles about 7h-Pyrrolo[2,3-d]pyrimidine-5-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: 76.0%

hexamethylenetetramine (100-97-0) + 7H-pyrrolo[2,3-d]pyrimidine (271-70-5) → 7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde (1060815-89-5)

Guidance literature:

With acetic acid; In water; for 8h; Inert atmosphere; Reflux;

Reference yield:

7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde (1060815-89-5) → (E)-methyl 2-(((benzyloxy)carbonyl)amino)-3-(7-(2-(tert-butoxy)-2-oxoethyl)-7H-pyrrolo [2,3-d]pyrimidin-5-yl)acrylate

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 2 h / 0 - 20 °C

2: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / 0.17 h / Inert atmosphere

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

hexamethylenetetramine

7H-pyrrolo[2,3-d]pyrimidine