108354-78-5 | 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$15.00	$10.00
1g	95%	in stock	$16.00	$11.00
5g	95%	in stock	$33.00	$23.00
25g	95%	in stock	$38.00	$27.00

Description

• Catalog Number: AE09304
• Chemical Name: 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester
• CAS Number: 108354-78-5
• Molecular Formula: C10H13NO2S
• Molecular Weight: 211.2807
• MDL Number: MFCD00130099
• SMILES: COC(=O)c1c(N)sc2c1CCCC2

Computed Properties

• Complexity: 234
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 2.9

Upstream Synthesis Route

Methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is a versatile compound widely used in chemical synthesis. In organic chemistry, it serves as a key building block for the preparation of various heterocyclic compounds. By leveraging its unique structure and reactivity, this compound can participate in numerous synthetic transformations to yield complex molecules of interest.One notable application of Methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is in the synthesis of pharmaceutical intermediates and active ingredients. Its presence in the molecular framework of drug candidates can impart desirable biological activities and optimize pharmacokinetic properties. Through strategic derivatization and functional group manipulations, chemists can tailor the molecular structure of Methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate to achieve specific targets in drug discovery and development.Moreover, this compound also finds utility in material science, where it can be incorporated into the design of organic semiconductors, fluorescent dyes, and other functional materials. The ability of Methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate to undergo diverse chemical reactions makes it a valuable asset in the toolbox of synthetic chemists aiming to access structurally and functionally diverse molecules.

Literature

• Novel small molecule inhibitors of MDR Mycobacterium tuberculosis by NMR fragment screening of antigen 85C.

  Journal of medicinal chemistry 20101209

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101