2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile

Base Information

Chemical Name:2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
CAS No.:113772-12-6
Molecular Formula:C₁₇H₁₉N₃O
Molecular Weight:281.357
Hs Code.:2933990090
DSSTox Substance ID:DTXSID80377282
Wikidata:Q82166448
ChEMBL ID:CHEMBL4926263
Mol file:113772-12-6.mol

Synonyms:113772-12-6;2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile;2-amino-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole-3-carbonitrile;2-Amino-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile;ZINC00169549;Oprea1_077482;SCHEMBL2800358;CHEMBL4926263;DTXSID80377282;MFCD03425783;AKOS005070788;CS-0339291;FT-0680466;5T-0002;J-507728;2-amino-3-cyano-1-(4-methoxyphenyl)methyl-4,5,6,7-tetrahydroindole

Suppliers and Price of 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-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

Matrix Scientific
2-Amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile >95%
1g
$ 228.00

Matrix Scientific
2-Amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile >95%
500mg
$ 181.00

Crysdot
2-Amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile 95+%
5g
$ 392.00

Chemenu
2-Amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile 95%
5g
$ 371.00

American Custom Chemicals Corporation
2-AMINO-1-(4-METHOXYBENZYL)-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBONITRILE 95.00%
5G
$ 1115.96

Alichem
2-Amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
5g
$ 355.20

AK Scientific
2-Amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
5g
$ 757.00

Total 14 raw suppliers

Chemical Property of 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile

Chemical Property:

Vapor Pressure:8.69E-11mmHg at 25°C
Melting Point:130-132°C
Boiling Point:516.8°Cat760mmHg
PKA:3.19±0.20(Predicted)
Flash Point:266.4°C
PSA：63.97000
Density:1.21g/cm³
LogP:3.45888
Storage Temp.:2-8°C
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:281.152812238
Heavy Atom Count:21
Complexity:396

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile >95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)CN2C3=C(CCCC3)C(=C2N)C#N

Technology Process of 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile

There total 1 articles about 2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-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:

: 2393-23-9
4-methoxy-benzylamine

: 533-60-8
cyclohexanone-2-ol

: 109-77-3
malononitrile

: 113772-12-6
2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydroindole-3-carbonitrile

Guidance literature:: Yield given. Multistep reaction; 1) toluene, 1.5h, reflux, 2) toluene, 45 min, reflux;

Reference yield:

: 113772-12-6
2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydroindole-3-carbonitrile

: 139438-70-3
methyl 4-amino-9-(4-methoxybenzyl)-2-methyl-5-oxo-5,6,7,8-tetrahydro-9H-pyrido<2,3-b>indole-3-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 1) p-TsOH / 1) toluene, 1h, reflux, 2) MeOH, 2h, reflux

2: 81 percent / DDQ / toluene / 0.5 h / 120 °C

3: anisole, TFA, conc. H₂SO₄ / 1.5 h / Ambient temperature

With sulfuric acid; toluene-4-sulfonic acid; methoxybenzene; trifluoroacetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In toluene;

Reference yield:

: 113772-12-6
2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydroindole-3-carbonitrile

: 113772-02-4
methyl 4-amino-9-(4-methoxybenzyl)-2-methyl-9H-pyrido<2,3-b>indole-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 1) p-TsOH / 1) toluene, 1h, reflux, 2) MeOH, 2h, reflux

2: 81 percent / DDQ / toluene / 0.5 h / 120 °C

With toluene-4-sulfonic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In toluene;