6-Chloro-2h-chromene

Base Information

• Chemical Name: 6-Chloro-2h-chromene
• CAS No.: 16336-27-9
• Molecular Formula: C9H7 Cl O
• Molecular Weight: 166.6043
• NSC Number: 123159
• DSSTox Substance ID: DTXSID80298443
• Nikkaji Number: J1.512.113K
• Wikidata: Q82040261
• Mol file: 16336-27-9.mol

Synonyms:6-chloro-2h-chromene;16336-27-9;6-chlorochromene;NSC123159;SCHEMBL3199320;DTXSID80298443;AKOS006305299;NSC-123159;A810541

Chemical Property of 6-Chloro-2h-chromene

Chemical Property:

• Vapor Pressure: 0.0155mmHg at 25°C
• Boiling Point: 264.9°C at 760 mmHg
• Flash Point: 117.5°C
• Density: 1.256g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 166.0185425
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC2=C(O1)C=CC(=C2)Cl

Technology Process of 6-Chloro-2h-chromene

There total 11 articles about 6-Chloro-2h-chromene 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: 84.0%

vinyl magnesium bromide (1826-67-1) + 5-chlorosalicyclaldehyde (635-93-8) → 6-chloro-2H-chromene (16336-27-9)

Guidance literature:

vinyl magnesium bromide; 5-chlorosalicyclaldehyde; In tetrahydrofuran; at -78 ℃; Inert atmosphere;

With 2-(di-tert-butylphosphino)-1,1'-biphenylgold(I) chloride; silver trifluoromethanesulfonate; In tetrahydrofuran; at 65 ℃; Inert atmosphere;

DOI:10.1039/c0cc01961e

Reference yield: 64.0%

1-chloro-4-(prop-2-yn-1-yloxy)benzene (19130-39-3) → 6-chloro-2H-chromene (16336-27-9)

Guidance literature:

In various solvent(s); at 220 ℃; for 0.5h;

DOI:10.1016/S0040-4039(01)99839-9

Reference yield: 37.0%

6-chloro-4H-chromen-4-one (33533-99-2) → 6-chloro-2H-chromene (16336-27-9)

Guidance literature:

6-chloro-4H-chromen-4-one; With 9-bora-bicyclo[3.3.1]nonane; In tetrahydrofuran; at 20 ℃;

With sodium hydroxide; dihydrogen peroxide; In tetrahydrofuran; water; at 20 ℃; for 6h;

DOI:10.1246/bcsj.74.967

upstream raw materials:

1-chloro-4-(prop-2-yn-1-yloxy)benzene

acetic anhydride

3-Bromo-6-chloro-2H-chromene

4-Chloro-1-(3-chloro-2-propenoxy)benzene