4-(3-Aminopropoxy)benzonitrile

Base Information

Chemical Name:4-(3-Aminopropoxy)benzonitrile
CAS No.:116753-55-0
Molecular Formula:C10H12N2O
Molecular Weight:176.218
Hs Code.:2926909090
DSSTox Substance ID:DTXSID00554533
Wikidata:Q82435577
Mol file:116753-55-0.mol

Synonyms:4-(3-AMINOPROPOXY)BENZONITRILE;116753-55-0;Benzonitrile, 4-(3-aminopropoxy)-;SCHEMBL1715325;DTXSID00554533;GGQULJYGPHOTSA-UHFFFAOYSA-N;AC3063;MFCD16495890;4-(3-Aminopropoxy)benzonitrile 97%;AKOS009164471;SY008301;CS-0266519;EN300-1857274

Suppliers and Price of 4-(3-Aminopropoxy)benzonitrile

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
4-(3-Aminopropoxy)benzonitrile 95+%
5g
$ 367.00

Apolloscientific
4-(3-Aminopropoxy)benzonitrile
250mg
$ 203.00

Apolloscientific
4-(3-Aminopropoxy)benzonitrile
1g
$ 534.00

American Custom Chemicals Corporation
4-(3-AMINOPROPOXY)BENZONITRILE 95.00%
1G
$ 764.61

American Custom Chemicals Corporation
4-(3-AMINOPROPOXY)BENZONITRILE 95.00%
5G
$ 1336.34

Alichem
4-(3-Aminopropoxy)benzonitrile
5g
$ 400.00

AK Scientific
4-(3-Aminopropoxy)benzonitrile
5g
$ 1072.00

Total 7 raw suppliers

Chemical Property of 4-(3-Aminopropoxy)benzonitrile

Chemical Property:

Vapor Pressure:6.55E-05mmHg at 25°C
Boiling Point:344.5oC at 760 mmHg
PKA:9.49±0.10(Predicted)
Flash Point:162.2oC
PSA：59.04000
Density:1.1g/cm3
LogP:1.98618
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:176.094963011
Heavy Atom Count:13
Complexity:177

Purity/Quality:

97% ^*data from raw suppliers

4-(3-Aminopropoxy)benzonitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)OCCCN

Technology Process of 4-(3-Aminopropoxy)benzonitrile

There total 6 articles about 4-(3-Aminopropoxy)benzonitrile 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: 88.0%

: 156-87-6
propan-1-ol-3-amine

: 4-cyano-N,N,N-trimethylanilinium trifluoromethansulfonate

: 116753-55-0
4-(3-aminopropoxy)benzonitrile

Guidance literature:: propan-1-ol-3-amine; With potassium tert-butylate; In tetrahydrofuran; N,N-dimethyl-formamide; at 25 ℃; for 0.166667h; Inert atmosphere; Schlenk technique;

4-cyano-N,N,N-trimethylanilinium trifluoromethansulfonate; In tetrahydrofuran; N,N-dimethyl-formamide; at 25 ℃; for 3h; Inert atmosphere; Schlenk technique;
DOI:10.1002/anie.201712618

Reference yield: 48.0%

: 4-(3-(1,3-dioxoisoindolin-2-yl)propoxy)benzonitrile

: 116753-55-0
4-(3-aminopropoxy)benzonitrile

Guidance literature:: With hydrazine hydrate; In ethanol; for 48h; Reflux;
DOI:10.1021/acsmedchemlett.1c00717

Reference yield: 41.0%

: 313476-81-2
4-[3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propoxy]benzonitrile

: 116753-55-0
4-(3-aminopropoxy)benzonitrile

Guidance literature:: 4-[3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propoxy]benzonitrile; With hydrazine; In methanol; water; for 1h; Heating / reflux;

With hydrogenchloride; water; for 1.5h;