2-Chloro-6-methoxyquinoline-3-carbonitrile

Base Information

• Chemical Name: 2-Chloro-6-methoxyquinoline-3-carbonitrile
• CAS No.: 101617-91-8
• Molecular Formula: C11H7 Cl N2 O
• Molecular Weight: 218.642
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID80357721
• Nikkaji Number: J2.990.972E
• Wikidata: Q82137765
• ChEMBL ID: CHEMBL1349554
• Mol file: 101617-91-8.mol

Synonyms:2-Chloro-6-methoxyquinoline-3-carbonitrile;101617-91-8;MLS000693020;MFCD02740422;SMR000285896;2-CHLORO-6-METHOXY-3-QUINOLINECARBONITRILE;2-Chloro-6-methoxy-quinoline-3-carbonitrile;Oprea1_231687;Oprea1_650306;cid_865612;SCHEMBL1289560;CHEMBL1349554;BDBM63387;DTXSID80357721;AMFXVCDHDIEGIM-UHFFFAOYSA-N;HMS1620L19;HMS2638D17;HMS3362B18;BEA61791;AKOS000589750;AB12692;CS-0439761;FT-0726309;2-chloranyl-6-methoxy-quinoline-3-carbonitrile;EN300-141640;F84155;2-chloro-6-methoxyquinoline-3-carbonitrile, AldrichCPR

Chemical Property of 2-Chloro-6-methoxyquinoline-3-carbonitrile

Chemical Property:

• Vapor Pressure: 1.71E-06mmHg at 25°C
• Melting Point: 157-160 °C
• Refractive Index: 1.64
• Boiling Point: 396.5°Cat760mmHg
• PKA: -2.94±0.50(Predicted)
• Flash Point: 193.6°C
• PSA: 45.91000
• Density: 1.36g/cm³
• LogP: 2.76848
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 218.0246905
• Heavy Atom Count: 15
• Complexity: 275

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-6-methoxyquinoline-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 25-41
• Safety Statements: 45-39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=CC(=C(N=C2C=C1)Cl)C#N

Technology Process of 2-Chloro-6-methoxyquinoline-3-carbonitrile

There total 5 articles about 2-Chloro-6-methoxyquinoline-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: 98.0%

2-chloro-6-methoxyquinolin-3-carboxaldehyde (73568-29-3) → 2-chloro-6-methoxyquinoline-3-carbonitrile (101617-91-8)

Guidance literature:

2-chloro-6-methoxyquinolin-3-carboxaldehyde; With hydroxylamine hydrochloride; In tetrahydrofuran; water; at 20 ℃; for 1h;

With thionyl chloride; In chloroform; for 1h; Reflux;

DOI:10.1016/j.ejmech.2019.03.060

Reference yield: 80.0%

2-Chloro-6-methoxy-quinoline-3-carbaldehyde oxime → 2-chloro-6-methoxyquinoline-3-carbonitrile (101617-91-8)

Guidance literature:

With acetic anhydride; for 3h; Heating;

Reference yield:

2-chloro-6-methoxy-3-quinolinecarboxaldehyde oxime → 2-chloro-6-methoxyquinoline-3-carbonitrile (101617-91-8)

Guidance literature:

With thionyl chloride; In N-methyl-acetamide; ice-water;

upstream raw materials:

2-chloro-6-methoxyquinolin-3-carboxaldehyde

4-methoxyacetanilide

Downstream raw materials:

(2-Chloro-6-methoxy-quinolin-3-yl)-phenyl-methanone

6-methoxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile

C₁₈H₁₆N₄O₂S

2-(benzylamino)-6-methoxyquinoline-3-carbonitrile