2-[(3-methylbenzoyl)amino]-N-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Base Information

• Chemical Name: 2-[(3-methylbenzoyl)amino]-N-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• CAS No.: 5837-47-8
• Molecular Formula: C20H24N2O2S
• Molecular Weight: 356.4818
• DSSTox Substance ID: DTXSID00367842
• Wikidata: Q82153961
• Mol file: 5837-47-8.mol

Synonyms:5837-47-8;STK075631;2-[(3-methylbenzoyl)amino]-N-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;CBMicro_049534;Oprea1_738173;DTXSID00367842;AKOS001656330;1,6-Heptadien-4-one, 2,6-dimethyl-;BIM-0049356.P001;SR-01000462346;SR-01000462346-1;2-{[(3-methylphenyl)carbonyl]amino}-N-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Chemical Property of 2-[(3-methylbenzoyl)amino]-N-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Chemical Property:

• Vapor Pressure: 3.04E-08mmHg at 25°C
• Boiling Point: 448.7°C at 760 mmHg
• Flash Point: 225.2°C
• Density: 1.211g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 356.15584919
• Heavy Atom Count: 25
• Complexity: 484

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC(=C3)C

Technology Process of 2-[(3-methylbenzoyl)amino]-N-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

There total 5 articles about 2-[(3-methylbenzoyl)amino]-N-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 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:

Acetic acid 1-benzoylamino-3-methyl-1-(2-methyl-allyl)-but-3-enyl ester → 2,6-dimethyl-hepta-1,6-dien-4-one (5837-47-8)

Guidance literature:

With oxalic acid; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; water; Petroleum ether; Yield given;

Reference yield:

4,4-Dimethallyl-2-phenyl-2-oxazolin-5-on (77087-72-0) → 2,6-dimethyl-hepta-1,6-dien-4-one (5837-47-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 83 percent / NaOH / methanol; H₂O / 48 h / 25 °C

2: tetrahydrofuran; hexamethylphosphoric acid triamide / 1) 5-8 deg C, 2) to 25 deg C

3: oxalic acid dihydrate / tetrahydrofuran; hexamethylphosphoric acid triamide; petroleum ether; H₂O

With sodium hydroxide; oxalic acid; In tetrahydrofuran; methanol; N,N,N,N,N,N-hexamethylphosphoric triamide; water; Petroleum ether;

Reference yield:

2-(Benzoylamino)-2-methallyl-4-methyl-4-pentensaeure (77087-81-1) → 2,6-dimethyl-hepta-1,6-dien-4-one (5837-47-8)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran; hexamethylphosphoric acid triamide / 1) 5-8 deg C, 2) to 25 deg C

2: oxalic acid dihydrate / tetrahydrofuran; hexamethylphosphoric acid triamide; petroleum ether; H₂O

With oxalic acid; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; water; Petroleum ether;

upstream raw materials:

phorone

4,4-Dimethallyl-2-phenyl-2-oxazolin-5-on

2-(Benzoylamino)-2-methallyl-4-methyl-4-pentensaeure