2-[4-(Aminomethyl)phenyl]benzonitrile

Base Information Edit

Chemical Name:2-[4-(Aminomethyl)phenyl]benzonitrile
CAS No.:133690-92-3
Molecular Formula:C14H12N2
Molecular Weight:208.263
Hs Code.:2926909090
DSSTox Substance ID:DTXSID10362681
Nikkaji Number:J2.317.832J
Wikidata:Q82145990
Mol file:133690-92-3.mol

Synonyms:133690-92-3;2-[4-(aminomethyl)phenyl]benzonitrile;4'-(aminomethyl)-[1,1'-biphenyl]-2-carbonitrile;4'-(AMINOMETHYL)BIPHENYL-2-CARBONITRILE;4/'-(aminomethyl)biphenyl-2-carbonitrile;[(2'-cyanobiphenyl-4-yl)methyl]amine;[1,1'-Biphenyl]-2-carbonitrile, 4'-(aminomethyl)-;4-aminomethyl-2'-cyanobiphenyl;SCHEMBL3169219;DTXSID10362681;2-(4-Aminomethylphenyl)benzonitrile;2-(4-aminomethyl phenyl) benzonitrile;AKOS004117175;SB77630;EN300-89143;A1-29393

Suppliers and Price of 2-[4-(Aminomethyl)phenyl]benzonitrile

Supply Marketing:Edit

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

TRC
4''-(Aminomethyl)-[1,1''-biphenyl]-2-carbonitrile
100mg
$ 240.00

American Custom Chemicals Corporation
2-[4-(AMINOMETHYL)PHENYL]BENZONITRILE 95.00%
25KG
$ 55625.00

American Custom Chemicals Corporation
2-[4-(AMINOMETHYL)PHENYL]BENZONITRILE 95.00%
10KG
$ 24750.00

American Custom Chemicals Corporation
2-[4-(AMINOMETHYL)PHENYL]BENZONITRILE 95.00%
1KG
$ 4856.25

A1 Biochem Labs
2-[4-(Aminomethyl)phenyl]benzonitrile 95%
5 g
$ 1050.00

Total 3 raw suppliers

Chemical Property of 2-[4-(Aminomethyl)phenyl]benzonitrile Edit

Chemical Property:

PSA：49.81000
LogP:3.38428
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:208.100048391
Heavy Atom Count:16
Complexity:257

Purity/Quality:

95%+ ^*data from raw suppliers

4''-(Aminomethyl)-[1,1''-biphenyl]-2-carbonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN

Technology Process of 2-[4-(Aminomethyl)phenyl]benzonitrile

There total 12 articles about 2-[4-(Aminomethyl)phenyl]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: 89.0%

: 133690-91-2
4'-(azidomethyl)[1,1'-biphenyl]-2-carbonitrile

: 133690-92-3
[(2'-cyanobiphenyl-4-yl)methyl]amine

Guidance literature:: With triphenylphosphine; for 2h; Ambient temperature;
DOI:10.1021/jm00057a009

Reference yield: 15.0%

: benzyl (2'-cyanobiphenyl-4-yl)methylcarbamate

: 133690-92-3
[(2'-cyanobiphenyl-4-yl)methyl]amine

Guidance literature:: With palladium 10% on activated carbon; hydrogen; acetic acid; In methanol; water; at 20 ℃;
DOI:10.1021/jo501665e

Reference yield:

: 4403-71-8
(4-aminomethyl)aniline

: 133690-92-3
[(2'-cyanobiphenyl-4-yl)methyl]amine

Guidance literature:: Multi-step reaction with 4 steps

1.1: triethylamine / dichloromethane / 0.25 h / 20 °C

2.1: hydrogenchloride; sodium nitrite / water / 0.25 h / 0 °C

2.2: 0.33 h / 20 °C

3.1: potassium carbonate; palladium diacetate; dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane / water; 1,4-dioxane / 1 h / 100 °C / Inert atmosphere

4.1: acetic acid; palladium 10% on activated carbon; hydrogen / water; methanol / 20 °C

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; hydrogenchloride; palladium 10% on activated carbon; hydrogen; palladium diacetate; potassium carbonate; acetic acid; triethylamine; sodium nitrite; In 1,4-dioxane; methanol; dichloromethane; water; 3.1: |Suzuki-Miyaura Coupling;
DOI:10.1021/jo501665e