Methyl 5-iodoisoquinoline-3-carboxylate

Base Information

Chemical Name:Methyl 5-iodoisoquinoline-3-carboxylate
CAS No.:1005029-80-0
Molecular Formula:C₁₁H₈INO₂
Molecular Weight:313.095
Hs Code.:
DSSTox Substance ID:DTXSID60704698
Wikidata:Q82637195
Mol file:1005029-80-0.mol

Synonyms:methyl 5-iodoisoquinoline-3-carboxylate;1005029-80-0;SCHEMBL2444192;DTXSID60704698;ZPMMGANHQRMBKH-UHFFFAOYSA-N;FT-0702545

Suppliers and Price of Methyl 5-iodoisoquinoline-3-carboxylate

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

Alichem
Methyl5-iodoisoquinoline-3-carboxylate
5g
$ 6693.30

Alichem
Methyl5-iodoisoquinoline-3-carboxylate
1g
$ 2508.48

Total 2 raw suppliers

Chemical Property of Methyl 5-iodoisoquinoline-3-carboxylate

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:312.95998
Heavy Atom Count:15
Complexity:247

Purity/Quality:

97% ^*data from raw suppliers

Methyl5-iodoisoquinoline-3-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=NC=C2C=CC=C(C2=C1)I

Technology Process of Methyl 5-iodoisoquinoline-3-carboxylate

There total 2 articles about Methyl 5-iodoisoquinoline-3-carboxylate 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: 25.0%

: BF₄^(1-)*C₁₁H₈N₃O₂⁽¹⁺⁾

: 1005029-80-0
methyl 5-iodoisoquinoline-3-carboxylate

Guidance literature:: With potassium iodide; In water; at 80 ℃; for 2h;

Reference yield: 25.0%

: 80066-70-2
methyl 5-aminoisoquinoline-3-carboxylate

: 1005029-80-0
methyl 5-iodoisoquinoline-3-carboxylate

Guidance literature:: methyl 5-aminoisoquinoline-3-carboxylate; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.5h;

With tetrafluoroboric acid; In water;

With potassium iodide; In water; at 80 ℃; for 2h;
DOI:10.1021/jm701424g