3-(decanoylamino)-4-methoxy-N-phenylbenzamide

Base Information

• Chemical Name: 3-(decanoylamino)-4-methoxy-N-phenylbenzamide
• CAS No.: 6496-05-5
• Molecular Formula: C₁₃H₁₇N
• Molecular Weight: 187.285
• DSSTox Substance ID: DTXSID80409471
• Mol file: 6496-05-5.mol

Synonyms:6496-05-5;ST50986953;DTXSID80409471;AKOS024358068

Chemical Property of 3-(decanoylamino)-4-methoxy-N-phenylbenzamide

Chemical Property:

• Vapor Pressure: 7.41E-11mmHg at 25°C
• Boiling Point: 518.6°Cat760mmHg
• Flash Point: 267.4°C
• Density: 1.109g/cm³
• XLogP3: 6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 396.24129289
• Heavy Atom Count: 29
• Complexity: 477

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)OC

Technology Process of 3-(decanoylamino)-4-methoxy-N-phenylbenzamide

There total 9 articles about 3-(decanoylamino)-4-methoxy-N-phenylbenzamide 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:

(S)-1,2,3,6,11,11a-Hexahydro-4H-pyrido[1,2-b]isoquinolin-4-one → (S)-1,3,4,6,11,11a-Hexahydro-2H-pyrido[1,2-b]isoquinoline (6496-05-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Reflux;

DOI:10.1007/s00706-018-2244-5

Reference yield:

(S)-5-amino-6-(2-hydroxymethylphenyl)hexan-1-ol (1232683-35-0) → (S)-1,3,4,6,11,11a-Hexahydro-2H-pyrido[1,2-b]isoquinoline (6496-05-5)

Guidance literature:

(S)-5-amino-6-(2-hydroxymethylphenyl)hexan-1-ol; With thionyl chloride; In chloroform; at 0 - 50 ℃;

With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 10h;

DOI:10.1002/ejoc.201000111

Reference yield:

(S)-1,2,3,11a-tetrahydro-4H-pyrido[1,2-b]isoquinoline-4,11(6H)-dione → (S)-1,3,4,6,11,11a-Hexahydro-2H-pyrido[1,2-b]isoquinoline (6496-05-5)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium tetrahydroborate; methanol / 0 °C

2.1: sodium hydride; 1H-imidazole / tetrahydrofuran; mineral oil / 0.5 h / Reflux; Inert atmosphere

2.2: 0.75 h / Reflux; Inert atmosphere

2.3: 0.5 h / Reflux; Inert atmosphere

3.1: 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride / toluene / 1 h / Inert atmosphere; Reflux

4.1: lithium aluminium tetrahydride / tetrahydrofuran / Reflux

With 1H-imidazole; methanol; sodium tetrahydroborate; lithium aluminium tetrahydride; 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; sodium hydride; In tetrahydrofuran; toluene; mineral oil;

DOI:10.1007/s00706-018-2244-5

upstream raw materials:

(S)-5-amino-6-(2-hydroxymethylphenyl)hexan-1-ol

L-homoglutamic acid

benzaldehyde