N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzene-1-sulfonamide

Base Information

• Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzene-1-sulfonamide
• CAS No.: 14165-67-4
• Molecular Formula: C17H21NO4S
• Molecular Weight: 335.424
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID10351575
• Nikkaji Number: J103.708K
• Wikidata: Q82128094
• ChEMBL ID: CHEMBL256065
• Mol file: 14165-67-4.mol

Synonyms:14165-67-4;N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzene-1-sulfonamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide;Cambridge id 7177179;Oprea1_058903;CHEMBL256065;SCHEMBL5960103;DTXSID10351575;HMS1590A03;Benzenesulfonamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-;3,4-Dimethoxy-N-tosylphenethylamine;AKOS001026651;CCG-245402;Z45542915;4-methyl-N-(2-(3,4-dimethoxyphenyl)ethyl)-benzenesulfonamide

Chemical Property of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzene-1-sulfonamide

Chemical Property:

• PSA: 73.01000
• LogP: 4.00490
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 335.11912932
• Heavy Atom Count: 23
• Complexity: 440

Purity/Quality:

99.90% ^*data from raw suppliers

N-(2-(3,4-DIMETHOXY-PHENYL)-ETHYL)-4-METHYL-BENZENESULFONAMIDE 95.00% ^*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)NCCC2=CC(=C(C=C2)OC)OC

Technology Process of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzene-1-sulfonamide

There total 9 articles about N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzene-1-sulfonamide 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%

2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) + p-toluenesulfonyl chloride (98-59-9) → N-(3,4-dimethoxyphenethyl)-4-methylbenzenesulfonamide (14165-67-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 5h;

DOI:10.1002/cjoc.201900478

Reference yield:

3,4-dimethoxyphenylacetaldehyde (5703-21-9) → N-(3,4-dimethoxyphenethyl)-4-methylbenzenesulfonamide (14165-67-4)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium tetrahydroborate / methanol / 1 h / 0 - 20 °C

2: pyridine; phosphorus tribromide / dichloromethane / 1 h / 0 - 20 °C / Inert atmosphere

3: ammonia / ethanol; water / 4 h / 20 °C

4: triethylamine / acetonitrile / 4 h / 20 °C

With pyridine; sodium tetrahydroborate; ammonia; phosphorus tribromide; triethylamine; In methanol; ethanol; dichloromethane; water; acetonitrile;

DOI:10.1021/ol403365

Reference yield:

2-(3,4-dimethoxyphenyl)ethyl alcohol (7417-21-2) → N-(3,4-dimethoxyphenethyl)-4-methylbenzenesulfonamide (14165-67-4)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine; phosphorus tribromide / dichloromethane / 1 h / 0 - 20 °C / Inert atmosphere

2: ammonia / ethanol; water / 4 h / 20 °C

3: triethylamine / acetonitrile / 4 h / 20 °C

With pyridine; ammonia; phosphorus tribromide; triethylamine; In ethanol; dichloromethane; water; acetonitrile;

DOI:10.1021/ol403365

upstream raw materials:

2-(3,4-dimethoxyphenyl)-ethylamine

p-toluenesulfonyl chloride

1,2-dimethoxy-4-(2-nitro-vinyl)-benzene

3,4-dimethoxy-benzaldehyde

Downstream raw materials:

N-(3,4-dimethoxy-phenethyl)-N-(toluene-4-sulfonyl)-glycine

1-benzo[1,3]dioxol-5-yl-6,7-dimethoxy-2-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline

5,6-dimethoxy-1-(4′-methylbenzenesulfonyl)indoline

1,2,3,4-tetrahydro-6,7-dimethoxy-2-[(4-methylphenyl)sulfonyl]-1-(4-nitrophenyl)isoquinoline