2-(5-cyano-1H-indol-3-yl)acetic Acid

Base Information

Chemical Name:2-(5-cyano-1H-indol-3-yl)acetic Acid
CAS No.:202124-89-8
Molecular Formula:C11H8 N2 O2
Molecular Weight:200.19
Hs Code.:
DSSTox Substance ID:DTXSID40443992
Wikidata:Q82261994
Mol file:202124-89-8.mol

Synonyms:2-(5-cyano-1H-indol-3-yl)acetic Acid;202124-89-8;SCHEMBL4485828;DTXSID40443992;ZOZRQPFDLUFZPO-UHFFFAOYSA-N;2-(5-cyano-1H-indol-3-yl)aceticAcid;FT-0718528

Suppliers and Price of 2-(5-cyano-1H-indol-3-yl)acetic Acid

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

Total 4 raw suppliers

Chemical Property of 2-(5-cyano-1H-indol-3-yl)acetic Acid

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:200.058577502
Heavy Atom Count:15
Complexity:307

Purity/Quality:: 85.0-99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC2=C(C=C1C#N)C(=CN2)CC(=O)O

Technology Process of 2-(5-cyano-1H-indol-3-yl)acetic Acid

There total 5 articles about 2-(5-cyano-1H-indol-3-yl)acetic Acid 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: 68.7%

: 202124-86-5
methyl (5-cyano-1H-indol-3-yl)acetate

: 202124-89-8
(5-cyano-1H-indol-3-yl)acetic acid

Guidance literature:: methyl (5-cyano-1H-indol-3-yl)acetate; With lithium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 3h;

With hydrogenchloride; water; In tetrahydrofuran; ethyl acetate;

Reference yield: 65.0%

: 202124-89-8
(5-cyano-1H-indol-3-yl)acetic acid

Guidance literature:: With morpholine; sulfur; at 120 ℃; for 6h;

With sodium hydroxide; In ethanol; for 4h; Reflux;

Reference yield:

: 15861-24-2,142396-06-3
1H-indole-5-carbonitrile

: 202124-89-8
(5-cyano-1H-indol-3-yl)acetic acid

Guidance literature:: Multi-step reaction with 4 steps

1: diethyl ether / 3.5 h / 20 °C

2: 18 h / 20 °C

3: 22.6 percent / Et₃SiH; TFA / 20 h / 20 °C

4: KOH / methanol / 18 h / 20 °C

With triethylsilane; potassium hydroxide; trifluoroacetic acid; In methanol; diethyl ether;
DOI:10.1021/jm000113t