2-tert-ButoxycarbonylaMino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid

Base Information

• Chemical Name: 2-tert-ButoxycarbonylaMino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid
• CAS No.: 1240361-06-1
• Molecular Formula: C14H19NO4S
• Molecular Weight: 297.375
• Hs Code.: 2934999090
• Mol file: 1240361-06-1.mol

Synonyms:2-tert-ButoxycarbonylaMino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid;2-(Boc-amino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid

Chemical Property of 2-tert-ButoxycarbonylaMino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid

Chemical Property:

• Boiling Point: 405.5±45.0 °C(Predicted)
• PKA: 4.61±0.20(Predicted)
• PSA: 107.36000
• Density: 1.308±0.06 g/cm3(Predicted)
• LogP: 3.68570
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

97% ^*data from raw suppliers

2-tert-Butoxycarbonylamino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-tert-ButoxycarbonylaMino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid

There total 4 articles about 2-tert-ButoxycarbonylaMino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic 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:

C15H21NO4S (1313712-54-7) → 2-tert-butoxycarbonylamino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid (1240361-06-1)

Guidance literature:

C₁₅H₂₁NO₄S; With potassium hydroxide; In ethanol; water; for 5h; Reflux;

With hydrogenchloride; In ethanol; water; pH=6;

DOI:10.1111/j.1747-0285.2010.00989.x

Reference yield:

methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (108354-78-5) → 2-tert-butoxycarbonylamino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid (1240361-06-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: dmap / tetrahydrofuran / Reflux

2.1: potassium hydroxide / ethanol; water / 5 h / Reflux

2.2: pH 6

With dmap; potassium hydroxide; In tetrahydrofuran; ethanol; water;

DOI:10.1111/j.1747-0285.2010.00989.x

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-tert-butoxycarbonylamino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid (1240361-06-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfur; diethylamine / ethanol / 20 °C

2.1: dmap / tetrahydrofuran / Reflux

3.1: potassium hydroxide / ethanol; water / 5 h / Reflux

3.2: pH 6

With dmap; sulfur; diethylamine; potassium hydroxide; In tetrahydrofuran; ethanol; water; 1.1: Gewald reaction;

DOI:10.1111/j.1747-0285.2010.00989.x

upstream raw materials:

C₁₅H₂₁NO₄S

cyclohexanone

methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

di-tert-butyl dicarbonate

Downstream raw materials:

C₃₀H₄₁N₃O₆S

C₂₃H₂₇N₃O₃S

C₂₄H₂₉N₃O₃S

C₂₃H₂₆ClN₃O₃S

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