1,4-Dichloroisoquinoline-7-sulfonyl chloride

Base Information

• Chemical Name: 1,4-Dichloroisoquinoline-7-sulfonyl chloride
• CAS No.: 223671-80-5
• Molecular Formula: C9H4 Cl3 N O2 S
• Molecular Weight: 296.56
• DSSTox Substance ID: DTXSID70586543
• Wikidata: Q82478687
• Mol file: 223671-80-5.mol

Synonyms:223671-80-5;1,4-Dichloroisoquinoline-7-sulfonyl chloride;1,4-DICHLORO-7-ISOQUINOLINESULFONYL CHLORIDE;7-Isoquinolinesulfonyl chloride, 1,4-dichloro-;7-Isoquinolinesulfonylchloride, 1,4-dichloro-;1,4-Dichloroisoquinoline-7-sulfonylchloride;SCHEMBL6433525;DTXSID70586543;UVTOICZCRRXFKE-UHFFFAOYSA-N;GS3101;MFCD13192020;AKOS028114201;AS-53534;7-chlorosulphonyl-1,4-dichloroisoquinoline;1,4-dichloro-7-isoquinolinesulphonyl chloride;1,4-dichloro-7-isoquinolinyl sulphonylchloride;1,4-dichloro-7-isoquinolinylsulphonyl chloride;P16633

Chemical Property of 1,4-Dichloroisoquinoline-7-sulfonyl chloride

Chemical Property:

• Melting Point: 97-99°C
• PSA: 55.41000
• LogP: 4.54990
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform, DMSO
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 294.902833
• Heavy Atom Count: 16
• Complexity: 356

Purity/Quality:

98%Min ^*data from raw suppliers

1,4-Dichloro-7-isoquinolinesulfonyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1S(=O)(=O)Cl)C(=NC=C2Cl)Cl
• Uses: Intermediate of isoquinolinylguanidines as urokinase inhibitors Intermediate of isoquinolinylguanidines as urokinase inhibitors.

Technology Process of 1,4-Dichloroisoquinoline-7-sulfonyl chloride

There total 7 articles about 1,4-Dichloroisoquinoline-7-sulfonyl 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:

4-chloro-1-oxo-1,2-dihydro-7-isoquinolinesulfonyl chloride (223671-81-6) → 1,4-dichloro-7-isoquinolinesulphonyl chloride (223671-80-5)

Guidance literature:

With trichlorophosphate; In acetonitrile; for 15h; Heating;

DOI:10.1021/jm061066t

Reference yield:

1-isoquinolone (491-30-5) → 1,4-dichloro-7-isoquinolinesulphonyl chloride (223671-80-5) + 4-chloro-1-(2H)-isoquinolone (56241-09-9)

Guidance literature:

With N-chloro-succinimide; In acetonitrile (MeCN); acetonitrile;

Reference yield:

4-chloro-1-oxo-1,2-dihydro-7-isoquinolinesulfonyl chloride (223671-81-6) + diethyl ether (60-29-7,927820-24-4) → 1,4-dichloro-7-isoquinolinesulphonyl chloride (223671-80-5)

Guidance literature:

With trichlorophosphate; In acetonitrile;

upstream raw materials:

7-bromo-1,4-dichloroisoquinoline

4-chloro-1-oxo-1,2-dihydro-7-isoquinolinesulfonyl chloride

4-chloro-1-(2H)-isoquinolone

1-isoquinolone

Downstream raw materials:

N-benzyl-N-[(1,4-dichloro-7-isoquinolinyl)sulphonyl]-L-alanine tert-butyl ester

methyl 1-{[(1,4-dichloro-7-isoquinolinyl)sulphonyl]amino}cyclohexanecarboxylate

tert-butyl 2-{[(1,4-dichloro-7-isoquinolinyl)sulphonyl]amino}benzoate

tert-butyl 3-{[(1,4-dichloro-7-isoquinolinyl)sulphonyl]amino}benzoate

Refernces

• 1、 -. "Composition for the treatment of damaged tissue". . . Retrieved 2008/06/13.
• 2、 -. "Isoquinolines as urokinase inhibitors". . . Retrieved 2008/06/13.