6-Chloro-2-(4-chlorophenyl)-2H-1-benzopyran

Base Information

• Chemical Name: 6-Chloro-2-(4-chlorophenyl)-2H-1-benzopyran
• CAS No.: 73110-92-6
• Molecular Formula: C15H10 Cl2 O
• Molecular Weight: 277.15
• European Community (EC) Number: 277-285-5
• DSSTox Substance ID: DTXSID40993861
• Nikkaji Number: J309.244E
• Mol file: 73110-92-6.mol

Synonyms:73110-92-6;6-Chloro-2-(4-chlorophenyl)-2H-1-benzopyran;6-CHLORO-2-(4-CHLOROPHENYL)-2H-CHROMENE;EINECS 277-285-5;4',6-dichloroflav-3-ene;SCHEMBL11051273;DTXSID40993861;NS00059214

Chemical Property of 6-Chloro-2-(4-chlorophenyl)-2H-1-benzopyran

Chemical Property:

• Vapor Pressure: 2.04E-06mmHg at 25°C
• Boiling Point: 405.5°C at 760 mmHg
• Flash Point: 177.5°C
• PSA: 9.23000
• Density: 1.328g/cm³
• LogP: 5.14030
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 276.0108703
• Heavy Atom Count: 18
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2)Cl)OC1C3=CC=C(C=C3)Cl

Technology Process of 6-Chloro-2-(4-chlorophenyl)-2H-1-benzopyran

There total 3 articles about 6-Chloro-2-(4-chlorophenyl)-2H-1-benzopyran 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: 83.0%

C11H11ClO2 (1362479-72-8) + 4-Chlorophenylboronic acid (1679-18-1) → 6-chloro-2-(4-chlorophenyl)-2H-chromene (73110-92-6)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel⁽⁰⁾; triphenylphosphine; In 1,4-dioxane; tert-Amyl alcohol; at 40 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ol300364s

Reference yield: 76.0%

(E)-4-chloro-2-(3-(4-chlorophenyl)-1-hydroxyallyl)phenol → 6-chloro-2-(4-chlorophenyl)-2H-chromene (73110-92-6)

Guidance literature:

With water; for 3h; Reflux;

DOI:10.1021/jo502636d

Reference yield:

(E)-1-(5-Chloro-2-hydroxy-phenyl)-3-(4-chloro-phenyl)-propenone (36768-48-6) → 6-chloro-2-(4-chlorophenyl)-2H-chromene (73110-92-6)

Guidance literature:

With sodium tetrahydroborate; In isopropyl alcohol; at 20 ℃; for 12h;

DOI:10.1002/anie.201900721

upstream raw materials:

C₁₁H₁₁ClO₂

4-Chlorophenylboronic acid

(E)-1-(5-Chloro-2-hydroxy-phenyl)-3-(4-chloro-phenyl)-propenone

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