5-Bromofuran-3-carboxylic acid

Base Information

• Chemical Name: 5-Bromofuran-3-carboxylic acid
• CAS No.: 58832-36-3
• Molecular Formula: C5H3BrO3
• Molecular Weight: 190.981
• Hs Code.: 2932190090
• European Community (EC) Number: 816-066-6
• DSSTox Substance ID: DTXSID10537216
• Wikidata: Q82412148
• Mol file: 58832-36-3.mol

Synonyms:58832-36-3;5-bromofuran-3-carboxylic acid;5-bromo-3-furancarboxylic acid;2-BROMOFURAN-4-CARBOXYLIC ACID;5-bromo-3-furoic acid;5-Bromo-furan-3-carboxylic acid;MFCD08669547;3-Furancarboxylic acid, 5-bromo-;5-Bromo-3-furancarboxylicAcid;4-bromo-3-fluorobenzamidine;SCHEMBL363660;2-bromo-furan-4-carboxylic acid;DTXSID10537216;XYBPFWUNJQTZCM-UHFFFAOYSA-N;AKOS000126905;AB45895;CS-W023154;NCGC00341448-01;AS-31791;SY021737;2-bromofuran-4-carboxylic acid, AldrichCPR;EN300-31285;AB01156614-03;A832037;J-508519;Z255102436;5-Bromo-3-furancarboxylic Acid

Chemical Property of 5-Bromofuran-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.571
• Boiling Point: 279.401 °C at 760 mmHg
• Flash Point: 122.777 °C
• PSA: 50.44000
• Density: 1.892 g/cm³
• LogP: 1.74030
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.92656
• Heavy Atom Count: 9
• Complexity: 125

Purity/Quality:

98%Min ^*data from raw suppliers

2-Bromofuran-4-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(OC=C1C(=O)O)Br

Technology Process of 5-Bromofuran-3-carboxylic acid

There total 4 articles about 5-Bromofuran-3-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: 75.0%

3-Furoic acid (488-93-7) → 5-bromofuran-3-carboxylic acid (58832-36-3)

Guidance literature:

With pyridinium perbromide hydrobromide; acetic acid; at 40 ℃; for 18h;

DOI:10.1021/jacs.5b05672

Reference yield:

2,4-furan dicarboxylic acid (4282-28-4) → 5-bromofuran-3-carboxylic acid (58832-36-3)

Guidance literature:

Multi-step reaction with 2 steps

1: copper-powder; quinoline

2: chloroform; bromine

With quinoline; chloroform; bromine; copper;

DOI:10.1021/ja01334a047

Reference yield:

3-Furoic acid (488-93-7) + chloroform (67-66-3,8013-54-5) + bromine (7726-95-6) → 5-bromofuran-3-carboxylic acid (58832-36-3)

Guidance literature:

DOI:10.1021/ja01334a047

upstream raw materials:

3-Furoic acid

chloroform

bromine

2,4-furan dicarboxylic acid

Downstream raw materials:

5-bromo-N-((1S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}ethyl)-3-furancarboxamide

2-<(2E,6E)-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-7-methyl-3-<(tert-butyldimethylsilyloxy)methyl>-2,6-nonadienyl>-2-<2-trimethylsilylfuran-4-yl>-1,3-dithian

2-trimethylsilyl-4-<(2E,6E)-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-7-methyl-4-hydroxymethyl-1-hydroxy-2,6-nonadien-1-yl>-furan

Refernces

• 1、 -. "ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF". Page/Page column 196. . Retrieved 2021/12/31.
• 2、 -. "INHIBITORS OF AKT ACTIVITY". Page/Page column 54. . Retrieved 2008/12/08.