3-Bromo-2-coumaranone

Base Information

• Chemical Name: 3-Bromo-2-coumaranone
• CAS No.: 115035-43-3
• Molecular Formula: C8H5 Br O2
• Molecular Weight: 213.03
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID70393057
• Nikkaji Number: J1.709.772E
• Mol file: 115035-43-3.mol

Synonyms:3-Bromo-2-coumaranone;115035-43-3;3-bromo-3H-1-benzofuran-2-one;3-Bromobenzofuran-2(3H)-one;3-Bromo-2-coumaranone, 95%;SCHEMBL7257122;DTXSID70393057;AKOS015889399;3-bromo-2,3-dihydro-1-benzofuran-2-one;FT-0642800

Chemical Property of 3-Bromo-2-coumaranone

Chemical Property:

• Vapor Pressure: 0.0472mmHg at 25°C
• Melting Point: 107-109 °C(lit.)
• Refractive Index: 1.639
• Boiling Point: 236.5°Cat760mmHg
• Flash Point: 96.8°C
• PSA: 26.30000
• Density: 1.768g/cm³
• LogP: 2.04160
• Storage Temp.: 2-8°C
• Solubility.: ethyl acetate: soluble25mg/mL, clear, colorless to yellow
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 211.94729
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Bromo-2-coumaranone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C(=O)O2)Br

Technology Process of 3-Bromo-2-coumaranone

There total 1 articles about 3-Bromo-2-coumaranone 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:

→ 3-bromo-1-benzofuran-2(3H)-one (115035-43-3)

Guidance literature:

2-Cumaranon, Dioxandibromid;

DOI:10.1007/BF00475943

Reference yield: 85.0%

3-bromo-1-benzofuran-2(3H)-one (115035-43-3) + 1-(4-methoxyphenyl)thiourea (2293-07-4) → N-(4-methoxyphenyl)-S-(2-oxo-2,3-dihydro-1-benzofuran-3-yl)isothiuronium bromide (1628629-75-3)

Guidance literature:

In acetonitrile; at 20 ℃;

DOI:10.3987/COM-14-12967

Reference yield: 85.0%

3-bromo-1-benzofuran-2(3H)-one (115035-43-3) + 1-(4-bromophenyl)thiourea (2646-30-2) → N-(4-bromophenyl)-S-(2-oxo-2,3-dihydro-1-benzofuran-3-yl)isothiuronium bromide (1628629-77-5)

Guidance literature:

In acetonitrile; at 20 ℃;

DOI:10.3987/COM-14-12967

Downstream raw materials:

benzofuran-2(3H)-one

3-benzyl-3H-benzofuran-2-one

2-[(cyclohexylmethyl)amino]-5-(2-hydroxyphenyl)-1,3-thiazol-4(5H)-one

5-(2-hydroxyphenyl)-2-imino-1,3-thiazolidin-4-one