2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE

Base Information

• Chemical Name: 2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
• CAS No.: 4815-28-5
• Molecular Formula: C9H12N2OS
• Molecular Weight: 196.273
• Hs Code.: 2934999090
• Mol file: 4815-28-5.mol

Synonyms:2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide;NSC 153313;

Chemical Property of 2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE

Chemical Property:

• Vapor Pressure: 0.000145mmHg at 25°C
• Refractive Index: 1.666
• Boiling Point: 332.5 °C at 760 mmHg
• PKA: 15.70±0.20(Predicted)
• Flash Point: 154.9 °C
• PSA: 97.35000
• Density: 1.337 g/cm³
• LogP: 2.58950
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE

There total 8 articles about 2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE 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: 90.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + cyanoacetic acid amide (107-91-5) → 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (4815-28-5)

Guidance literature:

With morpholine; sulfur; In ethanol; at 20 ℃; for 6h;

DOI:10.1016/j.bmc.2016.09.012

Reference yield: 75.0%

3-cyano-2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene (4651-91-6) → 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (4815-28-5)

Guidance literature:

With PPA; phosphoric acid; at 110 - 120 ℃; for 5h;

DOI:10.1002/ardp.19813140213

Reference yield: 73.0%

1-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-dodecanoylthiourea → 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (4815-28-5)

Guidance literature:

With sodium hydroxide; In ethanol; for 2h; Reflux;

DOI:10.1248/cpb.c15-00047

upstream raw materials:

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

cyclohexanone

cyanoacetic acid amide

acetylcyanamide

Downstream raw materials:

2-phenyl-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d][1,3,2]diazaborinin-4-one

2,4-Dioxo-1,2,3,4,5,6,7,8-octahydro-<1>-1-benzothieno<2,3-d>pyrimidine

4,5-tetramethylene thieno-[2,3-d][1,2,3]-triazin-4(3H)-one

4-hydroxy-2-phenyl-5,6,7,8-tetrahydrobenzo[b]thieno[2,3-d]pyrimidine

Refernces

• 1、 Tomala, Marcin D.,Magiera-Mularz, Katarzyna,Kubica, Katarzyna,Krzanik, Sylwia,Zieba, Bartosz,Musielak, Bogdan,Pustula, Marcin,Popowicz, Grzegorz M.,Sattler, Michael,Dubin, Grzegorz,Skalniak, Lukasz,Holak, Tad A.. "Identification of small-molecule inhibitors of USP2a". . p. 261 - 267. Retrieved 2018.
• 2、 Massari, Serena,Bertagnin, Chiara,Pismataro, Maria Chiara,Donnadio, Anna,Nannetti, Giulio,Felicetti, Tommaso,Di Bona, Stefano,Nizi, Maria Giulia,Tensi, Leonardo,Manfroni, Giuseppe,Loza, Maria Isabel,Sabatini, Stefano,Cecchetti, Violetta,Brea, Jose,Goracci, Laura,Loregian, Arianna,Tabarrini, Oriana. "Synthesis and characterization of 1,2,4-triazolo[1,5-a]pyrimidine-2-carboxamide-based compounds targeting the PA-PB1 interface of influenza A virus polymerase". . . Retrieved 2020/10/27.
• 3、 Tang, Jing,Huber, Andrew D.,Pineda, Dallas L.,Boschert, Kelsey N.,Wolf, Jennifer J.,Kankanala, Jayakanth,Xie, Jiashu,Sarafianos, Stefan G.,Wang, Zhengqiang. "5-Aminothiophene-2,4-dicarboxamide analogues as hepatitis B virus capsid assembly effectors". supporting information. p. 179 - 192. Retrieved 2019/01/04.