2-(2-Chloro-acetylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester

Base Information

• Chemical Name: 2-(2-Chloro-acetylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
• CAS No.: 203385-15-3
• Molecular Formula: C₁₂H₁₄ClNO₃S
• Molecular Weight: 287.767
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90383071
• Wikidata: Q82174644
• Mol file: 203385-15-3.mol

Synonyms:203385-15-3;2-(2-Chloro-acetylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester;ethyl 2-[(chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-(2-chloroacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-(2-chloroacetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate;DTXSID90383071;BBL016853;MFCD00436345;STK436088;AKOS000266925;VS-05629;FT-0643899;EN300-04054;D86140;SR-01000367487;SR-01000367487-1;Z56858184;F0745-0898;2-(2-Chloro-Acetylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene3-carboxylic acid ethyl ester;2-(2-chloroacetylamino)-5,6-dihydro-4h-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester

Chemical Property of 2-(2-Chloro-acetylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester

Chemical Property:

• Vapor Pressure: 3.07E-10mmHg at 25°C
• Refractive Index: 1.616
• Boiling Point: 502.8 °C at 760 mmHg
• Flash Point: 257.9 °C
• PSA: 83.64000
• Density: 1.391 g/cm³
• LogP: 2.66380
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 287.0382922
• Heavy Atom Count: 18
• Complexity: 339

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 2-[(chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CCl

Technology Process of 2-(2-Chloro-acetylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester

There total 3 articles about 2-(2-Chloro-acetylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid 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: 98.0%

ethyl 2-amino-4H,5H,6H-cyclopentenothiophene-3-carboxylate (4815-29-6) + chloroacetyl chloride (79-04-9) → ethyl 2-[(chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (203385-15-3)

Guidance literature:

In toluene; for 5h; Heating;

Reference yield:

cyclopentanone (120-92-3) → ethyl 2-[(chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (203385-15-3)

Guidance literature:

Multi-step reaction with 2 steps

1: morpholine; S / ethanol

2: Et₃N / tetrahydrofuran

With morpholine; sulfur; triethylamine; In tetrahydrofuran; ethanol;

DOI:10.1080/104265090889503

Reference yield:

ethyl 2-cyanoacetate (105-56-6) → ethyl 2-[(chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (203385-15-3)

Guidance literature:

Multi-step reaction with 2 steps

1: morpholine; S / ethanol

2: Et₃N / tetrahydrofuran

With morpholine; sulfur; triethylamine; In tetrahydrofuran; ethanol;

DOI:10.1080/104265090889503

upstream raw materials:

ethyl 2-amino-4H,5H,6H-cyclopentenothiophene-3-carboxylate

chloroacetyl chloride

cyclopentanone

ethyl 2-cyanoacetate

Downstream raw materials:

ethyl 2-(2-(3-allyl-3,4-dihydro-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-ylthio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate