(5-Methoxy-1-methyl-1H-indol-3-YL)acetonitrile

Base Information

Chemical Name:(5-Methoxy-1-methyl-1H-indol-3-YL)acetonitrile
CAS No.:176688-98-5
Molecular Formula:C12H12 N2 O
Molecular Weight:200.23648
Hs Code.:2933990090
DSSTox Substance ID:DTXSID30443042
Wikidata:Q82260727
Mol file:176688-98-5.mol

Synonyms:176688-98-5;(5-METHOXY-1-METHYL-1H-INDOL-3-YL)ACETONITRILE;2-(5-methoxy-1-methylindol-3-yl)acetonitrile;2-(5-Methoxy-1-methyl-1H-indol-3-yl)acetonitrile;SCHEMBL19193000;DTXSID30443042

Suppliers and Price of (5-Methoxy-1-methyl-1H-indol-3-YL)acetonitrile

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-METHOXY-1-METHYL-1H-INDOL-3-YL)ACETONITRILE 95.00%
5MG
$ 495.75

Total 4 raw suppliers

Chemical Property of (5-Methoxy-1-methyl-1H-indol-3-YL)acetonitrile

Chemical Property:

PSA：37.95000
LogP:2.25298
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:200.094963011
Heavy Atom Count:15
Complexity:270

Purity/Quality:

97% ^*data from raw suppliers

(5-METHOXY-1-METHYL-1H-INDOL-3-YL)ACETONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=C(C2=C1C=CC(=C2)OC)CC#N

Technology Process of (5-Methoxy-1-methyl-1H-indol-3-YL)acetonitrile

There total 3 articles about (5-Methoxy-1-methyl-1H-indol-3-YL)acetonitrile 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: 90.0%

: 2436-17-1
5-methoxyindole-3-acetonitrile

: 74-88-4
methyl iodide

: 176688-98-5
(1-methyl-5-methoxy-1H-indol-3-yl)acetonitrile

Guidance literature:: With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; at 30 ℃; for 48h;
DOI:10.3987/com-04-10041

Reference yield:

: 1006-94-6
5-methoxylindole

: 176688-98-5
(1-methyl-5-methoxy-1H-indol-3-yl)acetonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: diethylamine; acetic acid / H₂O / 3 h / 20 °C

2: 1.08 g / MeI / methanol; H₂O / 10 h / 20 °C

3: 0.53 g / aq. KOH / dimethylformamide / 0 - 20 °C

With potassium hydroxide; acetic acid; diethylamine; methyl iodide; In methanol; water; N,N-dimethyl-formamide;
DOI:10.1021/jm0512544

Reference yield:

: 10601-19-1
5-methoxyindole-3-carboxaldehyde

: 176688-98-5
(1-methyl-5-methoxy-1H-indol-3-yl)acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 1.08 g / MeI / methanol; H₂O / 10 h / 20 °C

2: 0.53 g / aq. KOH / dimethylformamide / 0 - 20 °C

With potassium hydroxide; methyl iodide; In methanol; water; N,N-dimethyl-formamide;
DOI:10.1021/jm0512544