Dimethyl 1-benzothiophene-2,5-dicarboxylate

Base Information

Chemical Name:Dimethyl 1-benzothiophene-2,5-dicarboxylate
CAS No.:7345-76-8
Molecular Formula:C₁₂H₁₀O₄S
Molecular Weight:250.275
Hs Code.:
DSSTox Substance ID:DTXSID00346536
Nikkaji Number:J1.427.310G
Wikidata:Q82119639
Mol file:7345-76-8.mol

Synonyms:Dimethyl 1-benzothiophene-2,5-dicarboxylate;7345-76-8;dimethyl benzo[b]thiophene-2,5-dicarboxylate;Dimethyl benzo(b)thiophene-2,5-dicarboxylate;SCHEMBL15697489;DTXSID00346536;dimethylbenzo[b]thiophene-2,5-dicarboxylate;Dimethyl 1-benzothiophene-2,5-dicarboxylate #;F80392;1-Benzothiophene-2,5-dicarboxylic acid dimethyl ester

Suppliers and Price of Dimethyl 1-benzothiophene-2,5-dicarboxylate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Acrotein
Dimethylbenzo[b]thiophene-2,5-dicarboxylate 97%
0.25g
$ 333.33

Acrotein
Dimethylbenzo[b]thiophene-2,5-dicarboxylate 97%
0.1g
$ 166.67

Total 3 raw suppliers

Chemical Property of Dimethyl 1-benzothiophene-2,5-dicarboxylate

Chemical Property:

Vapor Pressure:7.36E-06mmHg at 25°C
Boiling Point:376.2°C at 760 mmHg
Flash Point:181.3°C
PSA：80.84000
Density:1.325g/cm³
LogP:2.47450
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:250.02997997
Heavy Atom Count:17
Complexity:318

Purity/Quality:: Dimethylbenzo[b]thiophene-2,5-dicarboxylate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC2=C(C=C1)SC(=C2)C(=O)OC

Technology Process of Dimethyl 1-benzothiophene-2,5-dicarboxylate

There total 1 articles about Dimethyl 1-benzothiophene-2,5-dicarboxylate 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:

: 2365-48-2
Methyl thioglycolate

: 148625-35-8
methyl 3-formyl-4-nitrobenzoate

: 7345-76-8
dimethyl benzo[b]thiophene-2,5-dicarboxylate

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2007.05.091

Reference yield:

: 7345-76-8
dimethyl benzo[b]thiophene-2,5-dicarboxylate

: 850073-99-3
2-trityloxycarbamoyl-benzo[b]thiophene-5-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: NaH / tetrahydrofuran; methanol

2: EDC; HOBt / CH₂Cl₂

With sodium hydride; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1016/j.bmcl.2007.05.091

Reference yield:

: 7345-76-8
dimethyl benzo[b]thiophene-2,5-dicarboxylate

: 850074-02-1
2-trityloxycarbamoyl-benzo[b]thiophene-5-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: NaH / tetrahydrofuran; methanol

2: EDC; HOBt / CH₂Cl₂

3: NaOH / tetrahydrofuran; methanol

With sodium hydroxide; sodium hydride; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1016/j.bmcl.2007.05.091