2-(2,4-Dinitrophenyl)isoquinolinium chloride

Base Information

• Chemical Name: 2-(2,4-Dinitrophenyl)isoquinolinium chloride
• CAS No.: 33107-14-1
• Molecular Formula: C15H10N3O4+
• Molecular Weight: 331.715
• NSC Number: 338048
• UNII: U6G3Y4N4R3
• ChEMBL ID: CHEMBL1609490
• Mol file: 33107-14-1.mol

Synonyms:2-(2,4-Dinitrophenyl)isoquinolinium chloride;MLS002702514;MLS001241054;NSC338048;SMR000841217;U6G3Y4N4R3;CHEMBL1609490;SCHEMBL22345164;HMS2221A08;HMS3334K09;NSC-338048;Isoquinolinium,4-dinitrophenyl)-, chloride;N-(2,4-Dinitrophenyl)isoquinolinium chloride;Isoquinolinium, 2-(2,4-dinitrophenyl)-, chloride;Isoquinolinium, 2-(2,4-dinitrophenyl)-, chloride (1:1);2-(2,4-dinitrophenyl)-2lambda5-isoquinolin-2-ylium chloride

Chemical Property of 2-(2,4-Dinitrophenyl)isoquinolinium chloride

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 331.0359835
• Heavy Atom Count: 23
• Complexity: 434

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=[N+](C=CC2=C1)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

Technology Process of 2-(2,4-Dinitrophenyl)isoquinolinium chloride

There total 4 articles about 2-(2,4-Dinitrophenyl)isoquinolinium chloride 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%

isoquinoline (119-65-3) + 1-chloro-2,4-dinitro-benzene (97-00-7) → 2-(2,4-dinitrophenyl)-isoquinolinium chloride (33107-14-1)

Guidance literature:

DOI:10.1021/jo0001636

Reference yield:

1,2-di-tert-butyl 3-phenyl-1H,2H,3H,10bH-[1,2,3,4]tetrazolo[5,1-a]isoquinoline-1,2-dicarboxylate (203586-15-6) → 2-(2,4-dinitrophenyl)-isoquinolinium chloride (33107-14-1)

Guidance literature:

Multi-step reaction with 2 steps

1: chloroform-d1 / 20 °C

2: Heating

With chloroform-d1;

DOI:10.1107/S2053229619010210

Reference yield:

2-Anilino-isochinolinium-betain (31382-99-7) → 2-(2,4-dinitrophenyl)-isoquinolinium chloride (33107-14-1)

Guidance literature:

Multi-step reaction with 3 steps

1: carbon disulfide

2: chloroform-d1 / 20 °C

3: Heating

With carbon disulfide; chloroform-d1;

DOI:10.1107/S2053229619010210

upstream raw materials:

isoquinoline

1-chloro-2,4-dinitro-benzene

1,2-di-tert-butyl 3-phenyl-1H,2H,3H,10bH-[1,2,3,4]tetrazolo[5,1-a]isoquinoline-1,2-dicarboxylate

2-Anilino-isochinolinium-betain

Downstream raw materials:

isoquinoline

2,4-Dinitrophenol

2-(2,4-Dinitrophenyl)-1,2-dihydro-1-isochinolinol

((1S,3S,4S)-4-Dimethoxymethyl-3-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-(2,4-dinitro-phenyl)-amine