(3R,4S)-3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

Base Information

• Chemical Name: (3R,4S)-3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
• CAS No.: 127061-43-2
• Molecular Formula: C18H16 F3 N O3
• Molecular Weight: 351.325
• Mol file: 127061-43-2.mol

Synonyms:2H-1-Benzazepin-2-one,1,3,4,5-tetrahydro-3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-,(3R-cis)-; SQ 32191

Chemical Property of (3R,4S)-3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

Chemical Property:

• Vapor Pressure: 4.17E-10mmHg at 25°C
• Boiling Point: 482.1°Cat760mmHg
• Flash Point: 245.4°C
• Density: 1.324g/cm³

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (3R,4S)-3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

There total 24 articles about (3R,4S)-3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one 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: 100.0%

(3R,4R)-3-Hydroxy-4-(4-methoxy-phenyl)-2-oxo-6-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepine-3-carboxylic acid methyl ester (138337-24-3,138383-38-7,145681-71-6) → (3S,4S)-3-Hydroxy-4-(4-methoxy-phenyl)-6-trifluoromethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one (126958-67-6,127061-43-2,127061-45-4,133963-42-5,137821-01-3,138383-39-8) + (3R,4S)-3-Hydroxy-4-(4-methoxy-phenyl)-6-trifluoromethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one (133963-42-5)

Guidance literature:

With water; lithium iodide; In pyridine; Title compound not separated from byproducts; Heating;

DOI:10.1021/jm00082a018

Reference yield: 94.0%

(cis)-3-[(2-Carboxybenzoyl)oxy]-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2H-1-benzazepin-2-one (127061-41-0) → (3R-cis)-3-(hydroxy)-1,3,4,5-tetrahydro-4-[4-methoxyphenyl)-6-(trifluoromethyl)-2H-1-benzazepin-2-one (127061-43-2)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water;

Reference yield: 66.0%

(3S,4S)-1,3,4,5-tetrahydro-6-(trifluoromethyl)-3-hydroxy-3-(methoxycarbonyl)-4-(4-methoxyphenyl)-2H-1-benzazepin-2-one (138337-24-3) → (3S,4S-trans)-1,3,4,5-tetrahydro-6-(trifluoromethyl)-3-hydroxy-4-(4-methoxyphenyl)-2H-1-benzazepin-2-one (126958-67-6,127061-43-2,127061-45-4,133963-42-5,137821-01-3,138383-39-8) + (3R-cis)-3-(hydroxy)-1,3,4,5-tetrahydro-4-[4-methoxyphenyl)-6-(trifluoromethyl)-2H-1-benzazepin-2-one (127061-43-2)

Guidance literature:

With water; lithium iodide; In pyridine; for 2h; Heating;

DOI:10.1021/jm00082a018

upstream raw materials:

(3S,4S)-1,3,4,5-tetrahydro-6-(trifluoromethyl)-3-hydroxy-3-(methoxycarbonyl)-4-(4-methoxyphenyl)-2H-1-benzazepin-2-one

(3S,4S-trans)-3-carboxy-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2H-1-benzazepin-2-one (S)-α-methylbenzylamine salt

(3S,4S-trans)-1,3,4,5-tetrahydro-6-(trifluoromethyl)-3-(methoxycarbonyl)-4-(4-methoxyphenyl)-2H-1-benzazepin-2-one

4,5-Dihydro-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-1-benzazepine-2,3-dione

Downstream raw materials:

(3S,4S-trans)-1,3,4,5-tetrahydro-6-(trifluoromethyl)-3-hydroxy-1-<2-(dimethylamino)ethyl>-4-(4-methoxyphenyl)-2H-1-benzazepin-2-one

(3R,4S)-3-Hydroxy-4-(4-methoxy-phenyl)-1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-6-trifluoromethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

(3R,4S-cis)-1,3,4,5-tetrahydro-6-(trifluoromethyl)-3-hydroxy-1-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-2H-1-benzazepin-2-one

(3R,4S)-3-Hydroxy-4-(4-methoxy-phenyl)-1-((R)-1-methyl-pyrrolidin-2-ylmethyl)-6-trifluoromethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

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