3-(5-cyano-1H-indol-3-yl)propanoic Acid

Base Information

Chemical Name:3-(5-cyano-1H-indol-3-yl)propanoic Acid
CAS No.:149681-66-3
Molecular Formula:C₁₂H₁₀N₂O₂
Molecular Weight:214.224
Hs Code.:
DSSTox Substance ID:DTXSID30439985
Mol file:149681-66-3.mol

Synonyms:3-(5-cyano-1H-indol-3-yl)propanoic Acid;149681-66-3;5-Cyanoindole-3-propionic acid;SCHEMBL1537936;DTXSID30439985;AKWJKNNOUSXOMQ-UHFFFAOYSA-N;1H-INDOLE-3-PROPANOIC ACID,5-CYANO-

Suppliers and Price of 3-(5-cyano-1H-indol-3-yl)propanoic 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

American Custom Chemicals Corporation
5-CYANO-1H-INDOLE-3-PROPANOIC ACID 95.00%
5MG
$ 504.05

AccelPharmtech
5-cyano-1H-Indole-3-propanoicacid 97.00%
25G
$ 5120.00

AccelPharmtech
5-cyano-1H-Indole-3-propanoicacid 97.00%
5G
$ 2750.00

AccelPharmtech
5-cyano-1H-Indole-3-propanoicacid 97.00%
1G
$ 2370.00

Total 2 raw suppliers

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

Chemical Property:

Boiling Point:496.7±30.0 °C(Predicted)
PKA:4.59±0.10(Predicted)
PSA：76.88000
Density:1.36±0.1 g/cm3(Predicted)
LogP:2.05678
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:214.074227566
Heavy Atom Count:16
Complexity:320

Purity/Quality:

99% ^*data from raw suppliers

5-CYANO-1H-INDOLE-3-PROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

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

There total 3 articles about 3-(5-cyano-1H-indol-3-yl)propanoic 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: 45.0%

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

: 79-10-7
acrylic acid

: 149681-66-3
5-cyanoindole-3-propionic acid

Guidance literature:: With acetic anhydride; acetic acid; for 15h; Heating;
DOI:10.1080/00397919308018587

Reference yield:

: 10075-50-0
5-bromo-1H-indole

: 149681-66-3
5-cyanoindole-3-propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 72.6 percent / N-methyl-2-pyrrolidone / 4.5 h / Heating

2: 45 percent / AcOH, Ac₂O / 15 h / Heating

With 1-methyl-pyrrolidin-2-one; acetic anhydride; acetic acid;
DOI:10.1080/00397919308018587