5-Methoxy-2,3-dihydro-1H-indene-1-carbonitrile

Base Information

Chemical Name:5-Methoxy-2,3-dihydro-1H-indene-1-carbonitrile
CAS No.:102035-37-0
Molecular Formula:C11H11NO
Molecular Weight:173.21
Hs Code.:2926909090
DSSTox Substance ID:DTXSID70708581
Mol file:102035-37-0.mol

Synonyms:5-Methoxy-2,3-dihydro-1H-indene-1-carbonitrile;102035-37-0;2,3-DIHYDRO-5-METHOXY-1H-INDENE-1-CARBONITRILE;SCHEMBL385632;5-methoxy-indan-1-carbonitrile;DTXSID70708581;LKARGKZNHMEEDA-UHFFFAOYSA-N;AKOS006305928

Suppliers and Price of 5-Methoxy-2,3-dihydro-1H-indene-1-carbonitrile

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

Crysdot
5-Methoxy-2,3-dihydro-1H-indene-1-carbonitrile 95+%
1g
$ 455.00

American Custom Chemicals Corporation
5-METHOXY-2,3-DIHYDRO-1H-INDENE-1-CARBONITRILE 95.00%
5MG
$ 496.94

Alichem
5-Methoxy-2,3-dihydro-1H-indene-1-carbonitrile
1g
$ 368.28

Total 5 raw suppliers

Chemical Property of 5-Methoxy-2,3-dihydro-1H-indene-1-carbonitrile

Chemical Property:

PSA：33.02000
LogP:2.24858
Storage Temp.:2-8°C
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:173.084063974
Heavy Atom Count:13
Complexity:230

Purity/Quality:

98%min ^*data from raw suppliers

5-Methoxy-2,3-dihydro-1H-indene-1-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC2=C(C=C1)C(CC2)C#N

Technology Process of 5-Methoxy-2,3-dihydro-1H-indene-1-carbonitrile

There total 1 articles about 5-Methoxy-2,3-dihydro-1H-indene-1-carbonitrile 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:

: 5111-70-6
5-methoxy-1-indanone

: 38622-91-2,36635-61-7
[(p-methylphenyl)sulfonylmethyl]isonitrile

: 102035-37-0
5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile

Guidance literature:: 5-methoxy-1-indanone; [(p-methylphenyl)sulfonylmethyl]isonitrile; With sodium; In 1,2-dimethoxyethane; ethanol; at -5 ℃; Nitrogen atmosphere;

at 20 ℃; for 12h;

Reference yield: 92.0%

: 102035-37-0
5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile

: 74-88-4
methyl iodide

: 5-methoxy-1-methyl-2,3-dihydro-1H-indene-1-carbonitrile

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃;
DOI:10.1016/j.bmc.2016.09.047

Reference yield:

: 102035-37-0
5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile

: 5-methoxy-1-(4-methoxybenzyl)-1-methyl-2,3-dihydro-1H-indene

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0 - 20 °C

2.1: diisobutylaluminium hydride / hexane; toluene / 1 h / -78 °C

2.2: 20 °C

3.1: hexane; tetrahydrofuran / 0.25 h / -78 °C

3.2: 1.5 h / -78 - 20 °C

4.1: palladium 10% on activated carbon; hydrogen / tetrahydrofuran; methanol; water / 3 h / 20 °C

With palladium 10% on activated carbon; hydrogen; sodium hydride; diisobutylaluminium hydride; In tetrahydrofuran; methanol; hexane; water; N,N-dimethyl-formamide; toluene; mineral oil;
DOI:10.1016/j.bmc.2016.09.047