ethyl 2-(formylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Base Information

• Chemical Name: ethyl 2-(formylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• CAS No.: 62821-69-6
• Molecular Formula: C12H15NO3S
• Molecular Weight: 253.31700
• Mol file: 62821-69-6.mol

Synonyms:3-Carbethoxy-2-formamido-tetrahydrobenzothiophen;3-Ethoxycarbonyl-2-formamido-4,5,6,7-tetrahydrobenzothiophen;

Chemical Property of ethyl 2-(formylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Property:

• PSA: 83.64000
• LogP: 3.08080

Purity/Quality:

99% ^*data from raw suppliers

ETHYL 2-(FORMYLAMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

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Technology Process of ethyl 2-(formylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

There total 2 articles about ethyl 2-(formylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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: 95.0%

formic acid (64-18-6) + ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (4506-71-2) → 3-Carbethoxy-2-formamido-tetrahydrobenzothiophen (62821-69-6)

Guidance literature:

With zinc(II) chloride; at 70 ℃; for 3.33333h; neat (no solvent);

DOI:10.1016/j.tetlet.2009.10.006

Reference yield:

→ 3-Carbethoxy-2-formamido-tetrahydrobenzothiophen (62821-69-6)

Guidance literature:

entspr. Aminothiophen 11, DMF/HCl;

Reference yield:

3-Carbethoxy-2-formamido-tetrahydrobenzothiophen (62821-69-6) → 7-oxo-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (96334-46-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 52.1 percent / K₂Cr₂O₇ / aq. acetic acid

2: KOH / methanol / 1 h / 20 °C

3: 1. NaNO₂, conc. HCl; 2. copper acetate / 1. dioxane, -7 to -10 deg C, 20 min; 2. dioxane, ethanol, 70 deg C, 30 min

4: 45.9 percent / NaOH; aq. HCl / ethanol / 0.33 h / Heating

With hydrogenchloride; potassium dichromate; potassium hydroxide; sodium hydroxide; copper (I) acetate; sodium nitrite; In methanol; ethanol; acetic acid;

DOI:10.1007/BF00505954

upstream raw materials:

formic acid

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

Downstream raw materials:

3-phenethyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

3-o-tolyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

3-benzyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one

7-oxo-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid

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