Methyl 5-(1,3-dioxolan-2-yl)benzo[b]thiophene-2-carboxylate

Base Information

Chemical Name:Methyl 5-(1,3-dioxolan-2-yl)benzo[b]thiophene-2-carboxylate
CAS No.:146137-91-9
Molecular Formula:C₁₃H₁₂O₄S
Molecular Weight:264.302
Hs Code.:
DSSTox Substance ID:DTXSID501190174
Mol file:146137-91-9.mol

Synonyms:DTXSID501190174;Methyl 5-(1,3-dioxolan-2-yl)benzo[b]thiophene-2-carboxylate;146137-91-9

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Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl 5-(1,3-dioxolan-2-yl)benzo[b]thiophene-2-carboxylate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:417.327°C at 760 mmHg
Flash Point:206.192°C
Density:1.345g/cm³
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:264.04563003
Heavy Atom Count:18
Complexity:316

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC2=C(S1)C=CC(=C2)C3OCCO3

Technology Process of Methyl 5-(1,3-dioxolan-2-yl)benzo[b]thiophene-2-carboxylate

There total 2 articles about Methyl 5-(1,3-dioxolan-2-yl)benzo[b]thiophene-2-carboxylate 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:

: 66822-17-1
4-(1,3-dioxolan-2-yl)fluorobenzene

: 146137-91-9
5-[1,3]Dioxolan-2-yl-benzo[b]thiophene-2-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) n-BuLi, N,N,N',N'-tetramethylethylenediamine (TMEDA) / 1.) hexane, THF, -78 deg C, 2.) -78 deg C

2: 1.) NaH / 1.) DMSO, 20 deg C, 2.) DMSO, 2-5 min

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; sodium hydride;
DOI:10.1016/S0040-4039(00)60806-7

Reference yield:

: 2365-48-2
Methyl thioglycolate

: 146137-77-1
2-(3-Formyl-4-fluorophenyl)-1,3-dioxolane

: 146137-91-9
5-[1,3]Dioxolan-2-yl-benzo[b]thiophene-2-carboxylic acid methyl ester

Guidance literature:: With sodium hydride; Yield given. Multistep reaction; 1.) DMSO, 20 deg C, 2.) DMSO, 2-5 min;
DOI:10.1016/S0040-4039(00)60806-7