2-Amino-4-(3-chloropropoxy)-5-methoxybenzonitrile

Base Information

Chemical Name:2-Amino-4-(3-chloropropoxy)-5-methoxybenzonitrile
CAS No.:1122661-16-8
Molecular Formula:C11H13 Cl N2 O2
Molecular Weight:240.689
Hs Code.:
DSSTox Substance ID:DTXSID40694765
Wikidata:Q72434790
Mol file:1122661-16-8.mol

Synonyms:2-AMINO-4-(3-CHLOROPROPOXY)-5-METHOXYBENZONITRILE;1122661-16-8;2-amino-4-chloropropoxy-5-methoxy-benzonitrile;SCHEMBL2163172;DTXSID40694765;PKRRYKXWKZGSPF-UHFFFAOYSA-N;FT-0769775;2-amino-4-chloropropoxy-5-methoxy benzonitrile

Suppliers and Price of 2-Amino-4-(3-chloropropoxy)-5-methoxybenzonitrile

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

AK Scientific
2-Amino-4-(3-chloropropoxy)-5-methoxybenzonitrile
25mg
$ 596.00

AK Scientific
2-Amino-4-(3-chloropropoxy)-5-methoxybenzonitrile
2mg
$ 129.00

Total 6 raw suppliers

Chemical Property of 2-Amino-4-(3-chloropropoxy)-5-methoxybenzonitrile

Chemical Property:

Melting Point:118-119℃
PSA：68.27000
Density:1.24g/cm³
LogP:2.73798
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:240.0665554
Heavy Atom Count:16
Complexity:254

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-4-(3-chloropropoxy)-5-methoxybenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-4-(3-chloropropoxy)-5-methoxybenzonitrile

There total 3 articles about 2-Amino-4-(3-chloropropoxy)-5-methoxybenzonitrile 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: 89.2%

: 1122661-13-5
4-(3-chloropropoxy)-5-methoxy-2-nitrobenzonitrile

: 1122661-16-8
2-amino-4-(3-chloropropoxy)-5-methoxybenzonitrile

Guidance literature:: 4-(3-chloropropoxy)-5-methoxy-2-nitrobenzonitrile; With sodium dithionite; In ethanol; water; at 50 ℃; for 0.5h;

With hydrogenchloride; In ethanol; water; at 50 ℃; for 2h;
DOI:10.1016/j.bmcl.2017.08.035

Reference yield:

: 4421-08-3
3-methoxy-4-hydroxybenzonitrile

: 1122661-16-8
2-amino-4-(3-chloropropoxy)-5-methoxybenzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 1 h / 20 °C

1.2: 25 °C

2.1: nitric acid / 2 h / 30 °C

3.1: cyclohexene / palladium on carbon / ethanol / Reflux

With nitric acid; potassium carbonate; cyclohexene; palladium on carbon; In ethanol; N,N-dimethyl-formamide;

Reference yield:

: 210918-52-8
4-(3-chloropropoxy)-3-methoxybenzonitrile

: 1122661-16-8
2-amino-4-(3-chloropropoxy)-5-methoxybenzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: nitric acid / 2 h / 30 °C

2: cyclohexene / palladium on carbon / ethanol / Reflux

With nitric acid; cyclohexene; palladium on carbon; In ethanol;