3-Bromo-5-methylthiophene-2-carboxylic acid

Base Information

Chemical Name:3-Bromo-5-methylthiophene-2-carboxylic acid
CAS No.:61285-29-8
Molecular Formula:C6H5BrO2S
Molecular Weight:221.07200
Hs Code.:2934999090
DSSTox Substance ID:DTXSID10356000
Wikidata:Q82135116
Mol file:61285-29-8.mol

Synonyms:3-bromo-5-methylthiophene-2-carboxylic acid;61285-29-8;2-Thiophenecarboxylic acid, 3-bromo-5-methyl-;SCHEMBL3780362;DTXSID10356000;AKOS014614568;BS-32625;3-bromo-5-methylthiophene-2-carboxylicacid;CS-0134220;D95614;EN300-252291;Z1259057378

Suppliers and Price of 3-Bromo-5-methylthiophene-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
Packaging
price

TRC
3-bromo-5-methylthiophene-2-carboxylicacid
500mg
$ 965.00

TRC
3-bromo-5-methylthiophene-2-carboxylicacid
100mg
$ 305.00

Crysdot
3-Bromo-5-methylthiophene-2-carboxylicacid 95+%
1g
$ 447.00

Chemenu
3-bromo-5-methylthiophene-2-carboxylicacid 95%
1g
$ 422.00

Chemcia Scientific
3-Bromo-5-methyl-thiophene-2-carboxylicacid 95%
1 G
$ 495.00

Arctom
3-Bromo-5-methylthiophene-2-carboxylicacid ≥95%
1g
$ 626.00

Alichem
3-Bromo-5-methylthiophene-2-carboxylicacid
1g
$ 368.65

AK Scientific
3-Bromo-5-methylthiophene-2-carboxylicacid
500mg
$ 671.00

Total 8 raw suppliers

Chemical Property of 3-Bromo-5-methylthiophene-2-carboxylic acid

Chemical Property:

Melting Point:205-206 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Boiling Point:314.5±42.0 °C(Predicted)
PKA:3.30±0.10(Predicted)
PSA：65.54000
Density:1.784±0.06 g/cm3(Predicted)
LogP:2.51720
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:219.91936
Heavy Atom Count:10
Complexity:151

Purity/Quality:

NLT 98% ^*data from raw suppliers

3-bromo-5-methylthiophene-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(S1)C(=O)O)Br

Technology Process of 3-Bromo-5-methylthiophene-2-carboxylic acid

There total 3 articles about 3-Bromo-5-methylthiophene-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: 66.0%

: 765-58-2
2-bromo-5-methyl thiophene

: 124-38-9,18923-20-1
carbon dioxide

: 61285-29-8
3-bromo-5-methylthiophene-2-carboxylic acid

Guidance literature:: 2-bromo-5-methyl thiophene; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -70 ℃; for 2h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; hexane; at -70 ℃; for 1h; Inert atmosphere;
DOI:10.1007/s00706-017-2101-y

Reference yield:

: 554-14-3
2-Methylthiophene

: 61285-29-8
3-bromo-5-methylthiophene-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: bromine / 1,4-dioxane / 3 h / 20 °C / Inert atmosphere

2.1: n-butyllithium; diisopropylamine / tetrahydrofuran; hexane / 2 h / -70 °C / Inert atmosphere

2.2: 1 h / -70 °C / Inert atmosphere

With n-butyllithium; bromine; diisopropylamine; In tetrahydrofuran; 1,4-dioxane; hexane;
DOI:10.1007/s00706-017-2101-y