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

Base Information

Chemical Name:4-ethynyl-7H-pyrrolo[2,3-d]pyrimidine
CAS No.:1147014-44-5
Molecular Formula:C8H5N3
Molecular Weight:143.148
Hs Code.:2933599590
DSSTox Substance ID:DTXSID80702196
Nikkaji Number:J3.406.848H
Wikidata:Q82634038
Mol file:1147014-44-5.mol

Synonyms:4-ethynyl-7H-pyrrolo[2,3-d]pyrimidine;1147014-44-5;7H-Pyrrolo[2,3-d]pyriMidine, 4-ethynyl-;SCHEMBL1327652;DTXSID80702196;MFCD16877439;AKOS006377374;PB39651;AS-79216;CS-0099961;D78973;F2167-5050

Suppliers and Price of 4-ethynyl-7H-pyrrolo[2,3-d]pyrimidine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
4-Ethynyl-7H-pyrrolo[2,3-d]pyrimidine 95+%
1g
$ 668.00

Chemenu
4-ethynyl-7H-pyrrolo[2,3-d]pyrimidine 95%+
1g
$ 1048.00

Alichem
4-Ethynyl-7H-pyrrolo[2,3-d]pyrimidine
1g
$ 587.52

Total 13 raw suppliers

Chemical Property of 4-ethynyl-7H-pyrrolo[2,3-d]pyrimidine

Chemical Property:

PSA：41.57000
LogP:0.93920
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:143.048347172
Heavy Atom Count:11
Complexity:193

Purity/Quality:

99%, ^*data from raw suppliers

4-Ethynyl-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:C#CC1=C2C=CNC2=NC=N1

Technology Process of 4-ethynyl-7H-pyrrolo[2,3-d]pyrimidine

There total 4 articles about 4-ethynyl-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: 88.0%

: 1147014-44-5
4-ethynyl-7H-pyrrolo[2,3-d]pyrimidine

Guidance literature:

Reference yield:

: 1147014-68-3
4-[2-(trimethylsilyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine

: 1147014-44-5
4-ethynyl-7H-pyrrolo[2,3-d]pyrimidine

Guidance literature:: With potassium fluoride; In methanol; at 20 ℃; for 5h;
DOI:10.1021/co500122h

Reference yield:

: 3680-69-1
4-chloro-1H-pyrrolo[2,3-d]pyrimidine

: 1147014-44-5
4-ethynyl-7H-pyrrolo[2,3-d]pyrimidine

Guidance literature:: Multi-step reaction with 3 steps

1.1: hydrogen iodide / water / 80 h / 20 °C / Inert atmosphere

2.1: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / 0.5 h / 20 °C / Inert atmosphere

2.2: 6 h / 45 °C / Inert atmosphere

3.1: potassium fluoride / methanol / 5 h / 20 °C

With bis-triphenylphosphine-palladium(II) chloride; potassium fluoride; copper(l) iodide; hydrogen iodide; triethylamine; In methanol; water; 2.1: |Sonogashira Cross-Coupling / 2.2: |Sonogashira Cross-Coupling;
DOI:10.1021/co500122h