3,3-Dimethyl-2-tosyl-1,2,3,4-tetrahydroisoquinoline

Base Information

• Chemical Name: 3,3-Dimethyl-2-tosyl-1,2,3,4-tetrahydroisoquinoline
• CAS No.: 200631-40-9
• Molecular Formula: C18H21NO2S
• Molecular Weight: 315.436
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID40445875
• Wikidata: Q82264417

Synonyms:3,3-Dimethyl-2-tosyl-1,2,3,4-tetrahydroisoquinoline;200631-40-9;AGN-PC-0NBNWV;SCHEMBL6826623;DTXSID40445875;3,3-dimethyl-2-(4-methylphenyl)sulfonyl-1,4-dihydroisoquinoline

Chemical Property of 3,3-Dimethyl-2-tosyl-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

• PSA: 45.76000
• LogP: 4.53930
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 315.12930009
• Heavy Atom Count: 22
• Complexity: 486

Purity/Quality:

≥99% ^*data from raw suppliers

3,3-Dimethyl-2-tosyl-1,2,3,4-tetrahydroisoquinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2(C)C

Technology Process of 3,3-Dimethyl-2-tosyl-1,2,3,4-tetrahydroisoquinoline

There total 8 articles about 3,3-Dimethyl-2-tosyl-1,2,3,4-tetrahydroisoquinoline 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%

Dimethoxymethane (109-87-5) + 4-methyl-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide (110871-36-8) → 3,3-dimethyl-2-tosyl-1,2,3,4-tetrahydroisoquinoline (200631-40-9)

Guidance literature:

With boron trifluoride diethyl etherate; for 12h; Ambient temperature;

DOI:10.1021/jo9718004

Reference yield: 38.0%

toluene-4-sulfonamide (70-55-3) + (2-(2-methylallyl)phenyl)methanol (648895-02-7) → isochromane (493-05-0) + 3,3-dimethyl-2-tosyl-1,2,3,4-tetrahydroisoquinoline (200631-40-9)

Guidance literature:

With silver hexafluoroantimonate; ferric(III) bromide; In 1,2-dichloro-ethane; at 50 ℃; for 15h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.9b02353

Reference yield: 32.0%

2-isopentylbenzaldehyde (1268267-77-1) + toluene-4-sulfonamide (70-55-3) → 3,3-dimethyl-2-tosyl-1,2,3,4-tetrahydroisoquinoline (200631-40-9)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In 1,2-dichloro-ethane; at 20 ℃; for 72h; Reflux;

DOI:10.1021/ol300180w

upstream raw materials:

Dimethoxymethane

4-methyl-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide

phentermine hydrochloride

p-toluenesulfonyl chloride

Downstream raw materials:

3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

1-(4-(methoxycarbonyl)phenyl)-3,3-dimethyl-3,4-dihydroisoquinoline 2-oxide

3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline 2-oxide

3,3-dimethyl-1-(p-tolyl)-3,4-dihydroisoquinoline 2-oxide

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