1-Benzoselenophene-2-carboxylic acid

Base Information

Chemical Name:1-Benzoselenophene-2-carboxylic acid
CAS No.:20984-16-1
Molecular Formula:C9H6O2Se
Molecular Weight:225.10300
Hs Code.:2916399090
DSSTox Substance ID:DTXSID20391846
Nikkaji Number:J83.048H
Wikidata:Q82189583
Mol file:20984-16-1.mol

Synonyms:1-benzoselenophene-2-carboxylic acid;20984-16-1;Benzo[b]selenophene-2-carboxylic acid;AI-942/25034640;SCHEMBL15900085;DTXSID20391846

Suppliers and Price of 1-Benzoselenophene-2-carboxylic acid

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
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price

Total 1 raw suppliers

Chemical Property of 1-Benzoselenophene-2-carboxylic acid

Chemical Property:

Melting Point:235 °C
Boiling Point:387.0±34.0 °C(Predicted)
PKA:3.53±0.30(Predicted)
PSA：37.30000
LogP:1.59500
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:225.95330
Heavy Atom Count:12
Complexity:193

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=C([Se]2)C(=O)O

Technology Process of 1-Benzoselenophene-2-carboxylic acid

There total 5 articles about 1-Benzoselenophene-2-carboxylic acid 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: 62.0%

: 27361-69-9
ethyl benzo[b]selenophene-2-carboxylate

: 20984-16-1
benzo[b]selenophene-2-carboxylic acid

Guidance literature:: With water; sodium hydroxide; In methanol; at 25 ℃; for 24h;
DOI:10.1021/acsmedchemlett.0c00588

Reference yield:

: 446-52-6
2-Fluorobenzaldehyde

: 20984-16-1
benzo[b]selenophene-2-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: 1,4-dithiothreitol / N,N-dimethyl-formamide / 0.5 h / 25 °C / Inert atmosphere

1.2: 0.25 h / 25 °C / Inert atmosphere

1.3: 0.25 h / 25 °C / Inert atmosphere

2.1: 18 h / 135 °C

3.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 24 h / 25 °C

4.1: water; sodium hydroxide / methanol / 24 h / 25 °C

With water; N-ethyl-N,N-diisopropylamine; sodium hydroxide; 1,4-dithiothreitol; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/acsmedchemlett.0c00588

Reference yield:

: 6512-82-9
2-formylphenyl methyl selenide

: 20984-16-1
benzo[b]selenophene-2-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 18 h / 135 °C

2: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 24 h / 25 °C

3: water; sodium hydroxide / methanol / 24 h / 25 °C

With water; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/acsmedchemlett.0c00588