Benzo[b]thiophene-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-5-methyl-, ethyl ester

Base Information

• Chemical Name: Benzo[b]thiophene-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-5-methyl-, ethyl ester
• CAS No.: 70733-08-3
• Molecular Formula: C12H17NO2S
• Molecular Weight: 239.33400
• Mol file: 70733-08-3.mol

Synonyms:ethyl 2-amino-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;2-Amino-5-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester;2-Amino-3-ethoxycarbonyl-5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene;2-amino-5-methyl-4,5,6,7-tetrahydro-benzo[b]-thiophene-3-carboxylic acid ethyl ester;

Chemical Property of Benzo[b]thiophene-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-5-methyl-, ethyl ester

Chemical Property:

• PSA: 80.56000
• LogP: 3.21300

Purity/Quality:

2-AMINO-5-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzo[b]thiophene-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-5-methyl-, ethyl ester

There total 2 articles about Benzo[b]thiophene-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-5-methyl-, ethyl ester 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%

ethyl 2-cyanoacetate (105-56-6) + 3-Methylcyclohexanone (591-24-2,625-96-7) → 2-Amino-3-ethoxycarbonyl-5-methyl-4,5,6,7-tetrahydrobenzothiophene (70733-08-3)

Guidance literature:

With morpholine; sulfur; In ethanol; at 50 ℃; for 2h;

DOI:10.1016/j.bmc.2011.01.041

Reference yield:

ethyl 2-cyanoacetate (105-56-6) + 3-Methylcyclohexanone (591-24-2,625-96-7) → ethyl 2-amino-7-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate + 2-Amino-3-ethoxycarbonyl-5-methyl-4,5,6,7-tetrahydrobenzothiophene (70733-08-3)

Guidance literature:

With morpholine; sulphur; In ethanol; at 20 - 50 ℃; Overall yield = 86 percent; Overall yield = 1.78 g;

Reference yield: 96.0%

4-sec-butoxy-benzoyl chloride (855468-79-0) + 2-Amino-3-ethoxycarbonyl-5-methyl-4,5,6,7-tetrahydrobenzothiophene (70733-08-3) → 2-(4-sec-Butoxy-benzoylamino)-5-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester (106807-62-9)

Guidance literature:

With triethylamine; In 1,4-dioxane; for 4h; Heating;

DOI:10.1007/BF00763695

upstream raw materials:

ethyl 2-cyanoacetate

3-Methylcyclohexanone

Downstream raw materials:

6-methyl-2-phenyl-5,6,7,8-tetrahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

5,6,7,8,-Tetrahydro-2-6-dimethyl<1>benzothieno<2,3-d>pyrimidin-4(1H)-on

2-(3-Ethyl-thioureido)-5-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

6-Methyl-2-(3-trifluoromethyl-phenyl)-5,6,7,8-tetrahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one