Isoquinoline, 1,2,3,4-tetrahydro-2-(p-tolylsulfonyl)-

Base Information

• Chemical Name: Isoquinoline, 1,2,3,4-tetrahydro-2-(p-tolylsulfonyl)-
• CAS No.: 20335-69-7
• Molecular Formula: C16H17NO2S
• Molecular Weight: 287.382
• Hs Code.: 2933499090
• NSC Number: 124439
• DSSTox Substance ID: DTXSID10298577
• Nikkaji Number: J108.117I
• Wikidata: Q82040463
• ChEMBL ID: CHEMBL1327868
• Mol file: 20335-69-7.mol

Synonyms:20335-69-7;Isoquinoline, 1,2,3,4-tetrahydro-2-(p-tolylsulfonyl)-;2-Tosyl-1,2,3,4-tetrahydroisoquinoline;2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline;Isoquinoline, 1,2,3,4-tetrahydro-2-[(4-methylphenyl)sulfonyl]-;2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline;2-[(4-Methylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline;NSC124439;TimTec1_003154;Oprea1_408863;Oprea1_816059;MLS001205087;2-(p-tolylsulfonyl)-1,2,3,4-Tetrahydro-isoquinoline;CHEMBL1327868;SCHEMBL13302259;DTXSID10298577;ABXZGZXVLBYJDK-UHFFFAOYSA-N;HMS1542P08;HMS2829E08;STK008628;AKOS000579719;NSC-124439;N-tosyl-1,2,3,4-tetrahydroisoquinoline;SMR000515488;SR-01000399575;SR-01000399575-1;BRD-K76147950-001-01-1;Isoquinoline,2,3,4-tetrahydro-2-(p-tolylsulfonyl)-;Isoquinoline,2,3,4-tetrahydro-2-[(4-methylphenyl)sulfonyl]-;2-(4-METHYLBENZENESULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE;2-[(4-Methylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline #

Chemical Property of Isoquinoline, 1,2,3,4-tetrahydro-2-(p-tolylsulfonyl)-

Chemical Property:

• Vapor Pressure: 2.47E-08mmHg at 25°C
• Boiling Point: 451.2°Cat760mmHg
• Flash Point: 226.7°C
• PSA: 45.76000
• Density: 1.244g/cm³
• LogP: 3.76070
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 287.09799996
• Heavy Atom Count: 20
• Complexity: 420

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Technology Process of Isoquinoline, 1,2,3,4-tetrahydro-2-(p-tolylsulfonyl)-

There total 29 articles about Isoquinoline, 1,2,3,4-tetrahydro-2-(p-tolylsulfonyl)- 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: 92.0%

1,2,3,4-tetrahydroisoquinoline (91-21-4) + p-toluenesulfonyl chloride (98-59-9) → 2-tosyl-1,2,3,4-tetrahydroisoquinoline (20335-69-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 10h;

Reference yield: 88.0%

N-benzyl-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide (54879-44-6) → 2-tosyl-1,2,3,4-tetrahydroisoquinoline (20335-69-7)

Guidance literature:

N-benzyl-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide; With titanium tetrachloride; In dichloromethane; at 0 - 20 ℃; for 3h;

With triethylsilane; In dichloromethane; for 12h;

DOI:10.1016/j.cclet.2019.09.023

Reference yield: 81.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-methyl-N-(2-phenylethyl)benzenesulfonamide (5450-75-9) → 2-tosyl-1,2,3,4-tetrahydroisoquinoline (20335-69-7)

Guidance literature:

With 12-tungstophosphoric acid hydrate; In acetonitrile; for 3h; Reflux; Green chemistry;

DOI:10.1016/j.cclet.2013.06.019

upstream raw materials:

1,2,3,4-tetrahydroisoquinoline

p-toluenesulfonyl chloride

N-(2-phenylethyl)-N-[(4-methylphenyl)sulfonyl]glycine

1-(2-bromo-ethyl)-2-bromomethyl-benzene

Downstream raw materials:

1,2,3,4-tetrahydroisoquinoline