4-(3-Chloropropoxy)-5-methoxy-2-nitrobenzonitrile

Base Information

Chemical Name:4-(3-Chloropropoxy)-5-methoxy-2-nitrobenzonitrile
CAS No.:1122661-13-5
Molecular Formula:C11H11ClN2O4
Molecular Weight:270.672
Hs Code.:
DSSTox Substance ID:DTXSID70697163
Wikidata:Q72457986

Synonyms:1122661-13-5;4-(3-CHLOROPROPOXY)-5-METHOXY-2-NITROBENZONITRILE;2-nitro-4-chloropropoxy-5-methoxy-benzonitrile;SCHEMBL2164504;DTXSID70697163;NKROGNXZNNGSHI-UHFFFAOYSA-N;FT-0747608

Suppliers and Price of 4-(3-Chloropropoxy)-5-methoxy-2-nitrobenzonitrile

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

Total 5 raw suppliers

Chemical Property of 4-(3-Chloropropoxy)-5-methoxy-2-nitrobenzonitrile

Chemical Property:

Melting Point:133-134℃
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:270.0407345
Heavy Atom Count:18
Complexity:325

Purity/Quality:: 98%Min ^*data from raw 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+](=O)[O-])OCCCCl

Technology Process of 4-(3-Chloropropoxy)-5-methoxy-2-nitrobenzonitrile

There total 3 articles about 4-(3-Chloropropoxy)-5-methoxy-2-nitrobenzonitrile 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: 96.0%

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

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

Guidance literature:: With nitric acid; at 30 ℃; for 2h;

Reference yield:

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

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

Guidance literature:: Multi-step reaction with 2 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

With nitric acid; potassium carbonate; In N,N-dimethyl-formamide;

Reference yield:

: 121-33-5,8014-42-4
vanillin

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

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 85 °C

2: acetic acid; sodium acetate; hydroxylamine hydrochloride / 12 h / 105 °C

3: acetic acid; acetic anhydride; nitric acid / 24 h / 0 - 20 °C

With hydroxylamine hydrochloride; nitric acid; sodium acetate; acetic anhydride; potassium carbonate; acetic acid; In N,N-dimethyl-formamide;