methyl 3-iodo-1H-indole-2-carboxylate

Base Information

Chemical Name:methyl 3-iodo-1H-indole-2-carboxylate
CAS No.:534595-85-2
Molecular Formula:C10H8INO2
Molecular Weight:301.084
Hs Code.:2933990090
DSSTox Substance ID:DTXSID40363368
Wikidata:Q82147035
ChEMBL ID:CHEMBL4636834
Mol file:534595-85-2.mol

Synonyms:methyl 3-iodo-1H-indole-2-carboxylate;534595-85-2;3-iodo-indole-2-carboxylic Acid Methyl Ester;3-Iodo-1H-indole-2-carboxylic acid methyl ester;Bionet2_001274;SCHEMBL3338049;CHEMBL4636834;DTXSID40363368;HMS1367J20;MFCD04124152;AKOS005069308;3-iodoindol-2-carboxylic acid methyl ester;3-Iodoindole-2-carboxylic acid methyl ester;CS-0212939;EN300-7388721;SR-01000307009;10W-0241;J-522186;SR-01000307009-1

Suppliers and Price of methyl 3-iodo-1H-indole-2-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

TRC
Methyl3-iodo-1H-indole-2-carboxylate
250mg
$ 55.00

SynQuest Laboratories
Methyl 3-iodo-1H-indole-2-carboxylate
5 g
$ 312.00

SynQuest Laboratories
Methyl 3-iodo-1H-indole-2-carboxylate
1 g
$ 92.00

Matrix Scientific
Methyl 3-iodo-1H-indole-2-carboxylate >95%
1g
$ 228.00

Matrix Scientific
Methyl 3-iodo-1H-indole-2-carboxylate >95%
500mg
$ 181.00

Matrix Scientific
Methyl 3-iodo-1H-indole-2-carboxylate >95%
5g
$ 524.00

Crysdot
Methyl3-iodo-1H-indole-2-carboxylate 97%
25g
$ 790.00

Crysdot
Methyl3-iodo-1H-indole-2-carboxylate 97%
10g
$ 395.00

Chemenu
Methyl3-iodo-1H-indole-2-carboxylate 95%+
10g
$ 373.00

Chemenu
Methyl3-iodo-1H-indole-2-carboxylate 95%+
25g
$ 746.00

Total 10 raw suppliers

Chemical Property of methyl 3-iodo-1H-indole-2-carboxylate

Chemical Property:

Melting Point:157-159°C
Boiling Point:392.3±22.0 °C(Predicted)
PKA:13.48±0.30(Predicted)
PSA：42.09000
Density:1.860±0.06 g/cm3(Predicted)
LogP:2.55910
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:300.95998
Heavy Atom Count:14
Complexity:234

Purity/Quality:

99%, ^*data from raw suppliers

Methyl3-iodo-1H-indole-2-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=C(C2=CC=CC=C2N1)I

Technology Process of methyl 3-iodo-1H-indole-2-carboxylate

There total 2 articles about methyl 3-iodo-1H-indole-2-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: 95.0%

: 1202-04-6
indole-2-carboxylic acid methyl ester

: 534595-85-2
3-iodo-indole-2-carboxylic acid methyl ester

Guidance literature:: indole-2-carboxylic acid methyl ester; With potassium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

With iodine; In N,N-dimethyl-formamide; at 20 ℃; for 1.25h;
DOI:10.1055/S-0029-1218626

Reference yield:

Indole-2-carboxylic acid: 1477-50-5,1228050-17-6
Indole-2-carboxylic acid

: 534595-85-2
3-iodo-indole-2-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: sulfuric acid / 24 h / Reflux

2.1: potassium hydroxide / N,N-dimethyl-formamide / 0.25 h

2.2: 3 h

With sulfuric acid; potassium hydroxide; In N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2011.05.088

Reference yield: 85.0%

: 534595-85-2
3-iodo-indole-2-carboxylic acid methyl ester

: 536-74-3
phenylacetylene

: 1316759-22-4
methyl 3-(2-phenylethynyl)-1H-indole-2-carboxylate

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 20 ℃; for 6h; Inert atmosphere;
DOI:10.1007/s12039-016-1070-8