Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester

Base Information

• Chemical Name: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester
• CAS No.: 51486-13-6
• Molecular Formula: C₁₃H₁₈N₂O₂S₂
• Molecular Weight: 298.43
• NSC Number: 280492
• DSSTox Substance ID: DTXSID00199463
• Nikkaji Number: J359.367C
• ChEMBL ID: CHEMBL1528290
• Mol file: 51486-13-6.mol

Synonyms:51486-13-6;ethyl 2-{[(methylamino)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;Ethyl 2-(3-methylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;MLS000756629;Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester;ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;Ethyl 2-([(methylamino)carbonothioyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(methylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;SR-01000216900;BRN 1433547;Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(methylamino)thioxomethyl]amino]-, ethyl ester;benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(methylamino)thioxomethyl]amino]-, ethyl ester;NSC280492;CHEMBL1528290;REGID_for_CID_736267;DTXSID00199463;PYUUHNXQIWPYLX-UHFFFAOYSA-N;HMS2886K06;BBL025965;CCG-45136;MFCD00128345;STL382358;AKOS000637158;NSC 280492;NSC-280492;NCGC00246781-01;SMR000528830;VS-08167;CS-0314747;A918783;SR-01000216900-1;SR-01000216900-2;SR-01000216900-3;Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(3-methylureido)-, ethyl ester;Ethyl2-(3-methylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;Ethyl 2-([(methylamino)carbothioyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate #

Chemical Property of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester

Chemical Property:

• Vapor Pressure: 3.06E-08mmHg at 25°C
• Boiling Point: 448.6°Cat760mmHg
• Flash Point: 225.1°C
• Density: 1.297g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 298.08097017
• Heavy Atom Count: 19
• Complexity: 352

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC

Technology Process of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester

There total 2 articles about Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((methylamino)thioxomethyl)amino)-, 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: 84.0%

ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (4506-71-2) + methyl thioisocyanate (556-61-6) → 2-(3-Methyl-thioureido)-4,5,6,7-tetrahydrobenzothiophen-3-carbonsaeureethylester (51486-13-6)

Guidance literature:

In acetic acid; Heating;

Reference yield:

→ 2-(3-Methyl-thioureido)-4,5,6,7-tetrahydrobenzothiophen-3-carbonsaeureethylester (51486-13-6)

Guidance literature:

2-Amino-3-carbethoxy-4.5.6.7-tetrahydrobenzothiophen (1c), Methylisothiocyanat;

DOI:10.1002/ardp.19793120903

Reference yield: 89.0%

2-(3-Methyl-thioureido)-4,5,6,7-tetrahydrobenzothiophen-3-carbonsaeureethylester (51486-13-6) → 3-Methyl-2-thioxo-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one (38201-61-5)

Guidance literature:

With sodium; In ethanol; for 0.166667h; Heating;

upstream raw materials:

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

methyl thioisocyanate

Downstream raw materials:

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

3-Methyl-2-thioxo-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

3a-Ethoxy-4-methyl-2-phenyl-3a,4,6,7,8,9-hexahydro-3,10-dithia-4,10b-diaza-cyclopenta[a]fluorene-1,5-dione

(3-Methyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-phenyl-acetic acid

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 51486-13-6 ethyl 2-[(methylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Send

Send

Metric Ton KG G Pound L ML

Send

Send