Isoquinoline-5-sulfonyl chloride hydrochloride

Base Information

• Chemical Name: Isoquinoline-5-sulfonyl chloride hydrochloride
• CAS No.: 105627-79-0
• Molecular Formula: C9H7Cl2NO2S
• Molecular Weight: 264.132
• Hs Code.: 29334900
• European Community (EC) Number: 818-961-7
• DSSTox Substance ID: DTXSID70519255
• Mol file: 105627-79-0.mol

Synonyms:105627-79-0;isoquinoline-5-sulfonyl chloride hydrochloride;Isoquinoline-5-sulphonyl chloride hydrochloride;Isoquinoline-5-sulfonyl chloride HCl;ISOQUINOLINE-5-SULFONYL CHLORIDE, HYDROCHLORIDE;5-Isoquinolinesulfonyl chloride, hydrochloride;isoquinoline-5-sulfonyl chloride;hydrochloride;5-isoquinolinesulfonyl chloride hydrochloride;MFCD08272853;Isoquinoline-5-sulphonyl chloride, HCl;MFCD00270016;C9H7Cl2NO2S;isoquinoline-5-sulfonylchloride hydrochloride;5-Isoquinolinesulfonylchloride, hydrochloride (1:1);SCHEMBL987360;AMY9222;DTXSID70519255;GZQNTWHQJJVIAK-UHFFFAOYSA-N;5-isoquinolinesulfonyl chloride.HCl;BCP09429;AKOS015897027;AC-8863;SB12511;AS-19483;BL003874;SY042836;EN300-42641;A801283;A840796;isoquinoline-5-sulfonyl chloride, hydrochloride, AldrichCPR;Isoquinoline-5-sulfonyl chloride--hydrogen chloride (1/1)

Chemical Property of Isoquinoline-5-sulfonyl chloride hydrochloride

Chemical Property:

• Melting Point: 173-183°C
• PSA: 55.41000
• LogP: 4.04510
• Storage Temp.: -20°C Freezer
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 262.9574550
• Heavy Atom Count: 15
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

Isoquinoline-5-sulfonylChloride,Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)Cl.Cl
• Uses: Isoquinoline-5-sulfonyl Chloride, Hydrochloride (cas# 105627-79-0) is a compound useful in organic synthesis.

Technology Process of Isoquinoline-5-sulfonyl chloride hydrochloride

There total 4 articles about Isoquinoline-5-sulfonyl chloride hydrochloride 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: 99.0%

isoquinoline-5-sulfonic acid (27655-40-9) → isoquinoline-5-sulfonyl chloride hydrochloride (105627-79-0)

Guidance literature:

With bis(trichloromethyl) carbonate; Triphenylphosphine oxide; In ethyl acetate; at 50 ℃; for 5h; Temperature; Solvent;

Reference yield: 80.9%

isoquinoline-5-sulfonic acid → isoquinoline-5-sulfonyl chloride hydrochloride (105627-79-0)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; for 4h; Reflux;

DOI:10.1021/jm500324g

Reference yield:

isoquinoline (119-65-3) → isoquinoline-5-sulfonyl chloride hydrochloride (105627-79-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 72.4 percent / oleum / 48 h / 20 °C

2: 92.4 percent / thionyl chloride / dimethylformamide / 2 h / Heating

With thionyl chloride; sulfuric acid; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2004.02.005

upstream raw materials:

isoquinoline-5-sulfonic acid

isoquinoline

Downstream raw materials:

N-(2-aminoethyl)-5-isoquinoline-sulphonamide hydrochloride

Isoquinoline-5-sulfonic acid benzyl-(2-benzylamino-ethyl)-amide; hydrochloride

(2S,4S)-2-(4-chlorobenzyloxymethyl)-4-[isoquinoline-5-sulfonyl(2-trimethylsilylethoxymethyl)amino]pyrrolidine-1-carboxylic acid tert-butyl ester

N-(2-aminomethyl)-5-isoquinolinesulfonamide