N,N-Dimethyl-2-hydroxy-5-methoxy-gamma-phenylbenzenebutanamide

Base Information

• Chemical Name: N,N-Dimethyl-2-hydroxy-5-methoxy-gamma-phenylbenzenebutanamide
• CAS No.: 129841-23-2
• Molecular Formula: C19H23 N O3
• Molecular Weight: 313.3908
• DSSTox Substance ID: DTXSID60926515
• Nikkaji Number: J293.226A
• Mol file: 129841-23-2.mol

Synonyms:BRN 4201691;N,N-Dimethyl-2-hydroxy-5-methoxy-gamma-phenylbenzenebutanamide;Benzenebutanamide, N,N-dimethyl-2-hydroxy-5-methoxy-gamma-phenyl-;4-(2-Hydroxy-5-methoxyphenyl)-4-phenylbutyric acid, N,N-dimethylamide;129841-23-2;DTXSID60926515;4-(2-hydroxy-5-methoxyphenyl)-N,N-dimethyl-4-phenylbutanamide;LS-29267;N,N-Dimethyl-4-(2-hydroxy-5-methoxyphenyl)-4-phenylbutyramide

Chemical Property of N,N-Dimethyl-2-hydroxy-5-methoxy-gamma-phenylbenzenebutanamide

Chemical Property:

• Vapor Pressure: 1.59E-10mmHg at 25°C
• Boiling Point: 497.6°Cat760mmHg
• Flash Point: 254.7°C
• Density: 1.123g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 313.16779360
• Heavy Atom Count: 23
• Complexity: 366

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)OC)O

Technology Process of N,N-Dimethyl-2-hydroxy-5-methoxy-gamma-phenylbenzenebutanamide

There total 3 articles about N,N-Dimethyl-2-hydroxy-5-methoxy-gamma-phenylbenzenebutanamide 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: 74.0%

N,N-dimethylammonium chloride (506-59-2) + 7-Methoxy-5-phenyl-2,3,4,5-tetrahydro-1-benzoxazepin-2-one (104688-83-7) → 4-(2-Hydroxy-5-methoxyphenyl)-4-phenylbutyric Acid, N,N-Dimethyl Amide (129841-23-2)

Guidance literature:

With triethylamine; In toluene; for 5h; Heating;

DOI:10.1248/cpb.38.1570

Reference yield:

4,5-dihydro-5-phenyl-2(3H)-furanone (1008-76-0) → 4-(2-Hydroxy-5-methoxyphenyl)-4-phenylbutyric Acid, N,N-Dimethyl Amide (129841-23-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 30 percent / 75percent PPA / 5 h / Ambient temperature

2: 74 percent / triethylamine / toluene / 5 h / Heating

With triethylamine; In toluene;

DOI:10.1248/cpb.38.1570

Reference yield:

4-methoxy-phenol (150-76-5) → 4-(2-Hydroxy-5-methoxyphenyl)-4-phenylbutyric Acid, N,N-Dimethyl Amide (129841-23-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 30 percent / 75percent PPA / 5 h / Ambient temperature

2: 74 percent / triethylamine / toluene / 5 h / Heating

With triethylamine; In toluene;

DOI:10.1248/cpb.38.1570

upstream raw materials:

N,N-dimethylammonium chloride

7-Methoxy-5-phenyl-2,3,4,5-tetrahydro-1-benzoxazepin-2-one

4,5-dihydro-5-phenyl-2(3H)-furanone

4-methoxy-phenol

Downstream raw materials:

2-(4-Dimethylamino-1-phenyl-butyl)-4-methoxy-phenol

Refernces