4,1-Benzoxazepine-3-acetic acid, 1-[3-(acetyloxy)-2,2-dimethylpropyl]-7-chloro-5-(2,3-dimethoxyphenyl)-1, 2,3,5-tetrahydro-2-oxo-, (3R,5S)-

Base Information

• Chemical Name: 4,1-Benzoxazepine-3-acetic acid, 1-[3-(acetyloxy)-2,2-dimethylpropyl]-7-chloro-5-(2,3-dimethoxyphenyl)-1, 2,3,5-tetrahydro-2-oxo-, (3R,5S)-
• CAS No.: 383661-55-0
• Molecular Formula: C26H30ClNO8
• Molecular Weight: 519.979
• Mol file: 383661-55-0.mol

Synonyms:BOA;(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-1-(3-acetoxy-2,2-dimethylpropyl)-2-oxo-4,1-benzoxazepin-3-acetic acid;(3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetic acid;

Chemical Property of 4,1-Benzoxazepine-3-acetic acid, 1-[3-(acetyloxy)-2,2-dimethylpropyl]-7-chloro-5-(2,3-dimethoxyphenyl)-1, 2,3,5-tetrahydro-2-oxo-, (3R,5S)-

Chemical Property:

• PSA: 111.60000
• LogP: 4.30740

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4,1-Benzoxazepine-3-acetic acid, 1-[3-(acetyloxy)-2,2-dimethylpropyl]-7-chloro-5-(2,3-dimethoxyphenyl)-1, 2,3,5-tetrahydro-2-oxo-, (3R,5S)-

There total 3 articles about 4,1-Benzoxazepine-3-acetic acid, 1-[3-(acetyloxy)-2,2-dimethylpropyl]-7-chloro-5-(2,3-dimethoxyphenyl)-1, 2,3,5-tetrahydro-2-oxo-, (3R,5S)- 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%

acetic anhydride (108-24-7) + (3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetic acid (189060-51-3) → 2-[(3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetic acid (383661-55-0)

Guidance literature:

With pyridine; dmap; at 20 ℃; for 0.5h;

Reference yield: 90.0%

acetyl chloride (75-36-5) + (3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetic acid (189060-51-3) → 2-[(3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetic acid (383661-55-0)

Guidance literature:

With pyridine; In ethyl acetate; at 5 - 35 ℃; for 2h;

Reference yield:

→ 2-[(3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetic acid (383661-55-0)

Guidance literature:

upstream raw materials:

acetic anhydride

(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetic acid

acetyl chloride

Downstream raw materials:

C₃₁H₃₈ClNO₉

3-[(3R,5S)-3-(2-amino-2-oxoethyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-2,3-dihydro-4,1-benzoxazepin-1(5H)-yl]-2,2-dimethylpropyl acetate

3-[[(3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]aminophenylacetic acid methyl ester

methyl 4-[[(3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]aminophenylacetate

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