4-Methoxy-7h-pyrrolo[2,3-d]pyrimidine

Base Information

• Chemical Name: 4-Methoxy-7h-pyrrolo[2,3-d]pyrimidine
• CAS No.: 4786-76-9
• Molecular Formula: C7H7 N3 O
• Molecular Weight: 149.14998
• Hs Code.: 2933990090
• NSC Number: 66244
• DSSTox Substance ID: DTXSID70290052
• Wikidata: Q82027634
• Mol file: 4786-76-9.mol

Synonyms:4-methoxy-7h-pyrrolo[2,3-d]pyrimidine;4786-76-9;NSC66244;7H-Pyrrolo[2,3-d]pyrimidine,4-methoxy-;NCIOpen2_000028;SCHEMBL1085687;1H-Pyrrolo[2,3-d]pyrimidine, 4-methoxy- (8CI,9CI);DTXSID70290052;4-Methoxypyrrolo[2,3-d]pyrimidine;AMY25878;MFCD00127852;NSC-66244;AKOS005259324;AKOS006337100;PB12093;4-methoxy-7H-pyrrolo[2, 3-d]pyrimidine;AS-50392;4-Methoxy-7H-pyrrolo[-2,3-d]pyrimidine;CS-0054887;FT-0760220;P10076;A872044;Methyl 7H-pyrrolo[2,3-d]pyrimidin-4-yl ether #

Chemical Property of 4-Methoxy-7h-pyrrolo[2,3-d]pyrimidine

Chemical Property:

• Vapor Pressure: 0.000401mmHg at 25°C
• Boiling Point: 326.8°Cat760mmHg
• Flash Point: 119.7°C
• PSA: 50.80000
• Density: 1.327g/cm³
• LogP: 0.96650
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 149.058911855
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

99%, ^*data from raw suppliers

4-Methoxy-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: COC1=NC=NC2=C1C=CN2

Technology Process of 4-Methoxy-7h-pyrrolo[2,3-d]pyrimidine

There total 2 articles about 4-Methoxy-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: 85.0%

methanol (67-56-1) + 4-chloro-1H-pyrrolo[2,3-d]pyrimidine (3680-69-1) → 4-methoxy-7H-pyrrolo[2,3-d]pyrimidine (4786-76-9)

Guidance literature:

With potassium hydroxide; at 80 ℃; for 4h; Inert atmosphere;

DOI:10.1080/15257770.2016.1163374

Reference yield:

→ 4-methoxy-7H-pyrrolo[2,3-d]pyrimidine (4786-76-9)

Guidance literature:

Pyrimidin 2b, NaOCH3;

Reference yield: 83.0%

4-methoxy-7H-pyrrolo[2,3-d]pyrimidine (4786-76-9) → 5-iodo-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine (1196662-03-9)

Guidance literature:

With N-iodo-succinimide; In N,N-dimethyl-formamide; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1080/15257770.2016.1163374

upstream raw materials:

methanol

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

Downstream raw materials:

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

5-(1-benzyl-1H-1,2,3-triazol-4-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine

C₂₁H₂₂N₆O₃

5-bromo-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine

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