6-Bromo-3-cyanochromone

Base Information

• Chemical Name: 6-Bromo-3-cyanochromone
• CAS No.: 52817-13-7
• Molecular Formula: C10H4BrNO2
• Molecular Weight: 250.051
• Hs Code.: 2926909090
• European Community (EC) Number: 672-544-2
• DSSTox Substance ID: DTXSID40351548
• Nikkaji Number: J910.735E
• Wikidata: Q82128048
• Mol file: 52817-13-7.mol

Synonyms:6-Bromo-3-cyanochromone;52817-13-7;6-bromo-4-oxo-4h-chromene-3-carbonitrile;6-bromo-4-oxochromene-3-carbonitrile;6-Bromochromone-3-carbonitrile;3-Cyano-6-bromochromon;6-Bromo-4-oxo-4H-1-benzopyran-3-carbonitrile;SCHEMBL11266430;DTXSID40351548;MFCD00191842;AKOS005202965;FS-1292;B4968;CS-0206861;FT-0640111;4-Oxo-6-bromo-4H-1-benzopyran-3-carbonitrile;T71006;A829266

Chemical Property of 6-Bromo-3-cyanochromone

Chemical Property:

• Vapor Pressure: 1.02E-06mmHg at 25°C
• Melting Point: 119 °C
• Refractive Index: 1.671
• Boiling Point: 341.4 °C at 760 mmHg
• Flash Point: 160.3 °C
• PSA: 54.00000
• Density: 1.78 g/cm³
• LogP: 2.42718
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 248.94254
• Heavy Atom Count: 14
• Complexity: 341

Purity/Quality:

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

6-Bromo-3-cyanochromone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C(=O)C(=CO2)C#N

Technology Process of 6-Bromo-3-cyanochromone

There total 3 articles about 6-Bromo-3-cyanochromone 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:

6-bromo-4-oxo-4H-chromene-3-carbaldehyde (52817-12-6) → 6-bromochromone-3-carbonitrile (52817-13-7)

Guidance literature:

With formic acid; hydroxylamine hydrochloride; sodium formate; In water;

Reference yield:

5-Bromo-2-hydroxyacetophenone (1450-75-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 6-bromochromone-3-carbonitrile (52817-13-7)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; at 0 ℃; for 0.5h;

5-Bromo-2-hydroxyacetophenone; at 0 - 20 ℃; for 4h;

With hydroxylamine hydrochloride; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃;

DOI:10.1039/d1ob00215e

Reference yield:

→ 6-bromochromone-3-carbonitrile (52817-13-7)

Guidance literature:

upstream raw materials:

6-bromo-4-oxo-4H-chromene-3-carbaldehyde

5-Bromo-2-hydroxyacetophenone

N,N-dimethyl-formamide

Downstream raw materials:

7-bromo-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-5-one

Refernces

• 1、 -. "Substituted chromone-3-carbonitriles, carboxamides and carboxylic acids useful for preventing asthmatic symptoms". . . Retrieved 2008/06/13.