3-methylquinoline-8-sulfonyl Chloride

Base Information

• Chemical Name: 3-methylquinoline-8-sulfonyl Chloride
• CAS No.: 74863-82-4
• Molecular Formula: C10H8ClNO2S
• Molecular Weight: 241.698
• Hs Code.: 29349990
• UNII: D6J3GW33J6
• DSSTox Substance ID: DTXSID00393787
• Nikkaji Number: J2.470.870E
• Wikidata: Q72497429
• Mol file: 74863-82-4.mol

Synonyms:74863-82-4;3-methylquinoline-8-sulfonyl Chloride;3-Methyl-8-quinolinesulphonyl chloride;3-METHYL-8-QUINOLINESULFONYL CHLORIDE;8-Quinolinesulfonyl chloride, 3-methyl-;8-Chlorosulfonyl-3-methylquinoline;MFCD02683367;3-METHYL-QUINOLINE-8-SULFONYL CHLORIDE;4-Nitrobenzenesulfenylchloride;D6J3GW33J6;SCHEMBL1161161;DTXSID00393787;XCMAYGDQKTWICK-UHFFFAOYSA-N;BCP13829;AKOS009116157;CS-W023078;SB12302;AC-32102;AM804317;AS-15543;SY023549;A9569;FT-0616115;EN300-26987;3-methyl-8-quinolinesulfonyl chloride, AldrichCPR;J-512884

Chemical Property of 3-methylquinoline-8-sulfonyl Chloride

Chemical Property:

• Vapor Pressure: 2.19E-05mmHg at 25°C
• Melting Point: 158-159 °C
• Refractive Index: 1.63
• Boiling Point: 371.5 °C at 760 mmHg
• PKA: 0.82±0.28(Predicted)
• Flash Point: 178.5 °C
• PSA: 55.41000
• Density: 1.424 g/cm³
• LogP: 3.55150
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Very Slightly)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 240.9964274
• Heavy Atom Count: 15
• Complexity: 325

Purity/Quality:

99% ^*data from raw suppliers

3-Methyl-8-quinolinesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=CC=C2)S(=O)(=O)Cl)N=C1
• Uses: 3-Methyl-8-quinolinesulfonyl Chloride (cas# 74863-82-4) is a compound useful in organic synthesis.

Technology Process of 3-methylquinoline-8-sulfonyl Chloride

There total 3 articles about 3-methylquinoline-8-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:

3-methyl-8-quinolinesulfonic acid (153886-69-2) → 8-(chlorosulphonyl)-3-methylquinoline (74863-82-4)

Guidance literature:

With bis(trichloromethyl) carbonate; triethylamine; In toluene; at 25 - 40 ℃; for 3h; Reagent/catalyst; Temperature;

Reference yield:

3-methylquinoline (612-58-8) → 8-(chlorosulphonyl)-3-methylquinoline (74863-82-4)

Guidance literature:

With chlorosulfonic acid; thionyl chloride; In water;

Reference yield:

→ 8-(chlorosulphonyl)-3-methylquinoline (74863-82-4)

Guidance literature:

upstream raw materials:

3-methylquinoline

3-methyl-8-quinolinesulfonic acid

Downstream raw materials:

[Imino-((S)-3-{[(3S,6S,9aS)-6-(3-methyl-quinoline-8-sulfonylamino)-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carbonyl]-amino}-2-oxo-piperidin-1-yl)-methyl]-carbamic acid benzyl ester

[((S)-2-Hydroxy-3-{[(3S,6S,9aS)-6-(3-methyl-quinoline-8-sulfonylamino)-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carbonyl]-amino}-piperidin-1-yl)-imino-methyl]-carbamic acid benzyl ester

argatroban

(2R,4R)-1-[(S)-5-Benzyloxycarbonylamino-2-(3-methyl-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid ethyl ester

Refernces

• 1、 -. "Aminoguanidines and alkoxyguanidines as protease inhibitors". . . Retrieved 2008/06/13.