(4-Oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-acetic acid

Base Information

• Chemical Name: (4-Oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-acetic acid
• CAS No.: 383187-85-7
• Molecular Formula: C11H11NO3S
• Molecular Weight: 237.279
• Hs Code.: 2934999090
• Mol file: 383187-85-7.mol

Synonyms:(4-Oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-acetic acid

Chemical Property of (4-Oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-acetic acid

Chemical Property:

• PSA: 82.91000
• LogP: 1.66500

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)aceticacid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (4-Oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-acetic acid

There total 3 articles about (4-Oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-acetic acid 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: 97.0%

2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoic acid methyl ester (913687-69-1) → 2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoic acid (383187-85-7)

Guidance literature:

With sodium hydroxide; In methanol; at 0 ℃; for 3h;

DOI:10.1021/jm010207i

Reference yield:

2,3-dihydro-1,5-benzothiazepine-4(5H)-one (53454-43-6) → 2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoic acid (383187-85-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: K₂CO₃ / dimethylformamide / 20 °C

1.2: 1N aq. NaOH / ethanol / 3 h / 20 °C

2.1: 97 percent / 1N aq. NaOH / methanol / 3 h / 0 °C

With sodium hydroxide; potassium carbonate; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm010207i

Reference yield:

2-amino-benzenethiol (137-07-5) → 2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoic acid (383187-85-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 220 °C / Microwave irradiation

2: tetrabutylammomium bromide; potassium hydroxide / tetrahydrofuran

3: water; lithium hydroxide / methanol

With tetrabutylammomium bromide; water; potassium hydroxide; lithium hydroxide; In tetrahydrofuran; methanol;

DOI:10.1016/j.bmcl.2011.06.078

upstream raw materials:

2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoic acid methyl ester

2,3-dihydro-1,5-benzothiazepine-4(5H)-one

2-amino-benzenethiol

Downstream raw materials:

N-[1-(R)-(2-tert-butoxycarbonylaminoethylcarbamoyl)-2-phenylethyl]-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide

N-[1-(S)-(2-tert-butoxycarbonylaminoethylcarbamoyl)-2-phenylethyl]-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide