2H-1-Benzopyran-3-carboxaldehyde, 2-phenyl-

Base Information

• Chemical Name: 2H-1-Benzopyran-3-carboxaldehyde, 2-phenyl-
• CAS No.: 57543-47-2
• Molecular Formula: C16H12O2
• Molecular Weight: 236.27
• DSSTox Substance ID: DTXSID10973094
• Mol file: 57543-47-2.mol

Synonyms:57543-47-2;2H-1-Benzopyran-3-carboxaldehyde, 2-phenyl-;2-phenyl-2H-chromene-3-carbaldehyde;2-Phenyl-2H-1-benzopyran-3-carboxaldehyde;BRN 1572255;2-phenyl-2h-1-benzopyran-3-carbaldehyde;3-formyl-flav-3-ene;SCHEMBL10600995;DTXSID10973094;ZBKURGXVANGNSK-UHFFFAOYSA-N;BCB04_000118;LS-39055

Chemical Property of 2H-1-Benzopyran-3-carboxaldehyde, 2-phenyl-

Chemical Property:

• Vapor Pressure: 7.15E-07mmHg at 25°C
• Refractive Index: 1.669
• Boiling Point: 408.2 °C at 760 mmHg
• Flash Point: 192.1 °C
• PSA: 26.30000
• Density: 1.247 g/cm³
• LogP: 3.40260
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 236.083729621
• Heavy Atom Count: 18
• Complexity: 328

Purity/Quality:

99% ^*data from raw suppliers

2H-1-Benzopyran-3-carboxaldehyde,2-phenyl- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2C(=CC3=CC=CC=C3O2)C=O

Technology Process of 2H-1-Benzopyran-3-carboxaldehyde, 2-phenyl-

There total 4 articles about 2H-1-Benzopyran-3-carboxaldehyde, 2-phenyl- 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: 93.0%

salicylaldehyde (90-02-8) + 3-phenyl-propenal (104-55-2) → 2-phenyl-2H-chromene-3-carboxaldehyde (57543-47-2,911107-22-7)

Guidance literature:

With pyrrolidine; In tetrahydrofuran; at 60 ℃; Molecular sieve;

DOI:10.1002/cctc.201600925

Reference yield: 60.0%

(E)-3-phenylpropenal (14371-10-9) + salicylaldehyde (90-02-8) → 2-phenyl-2H-chromene-3-carboxaldehyde (57543-47-2,911107-22-7)

Guidance literature:

With benzoic acid; pyrrolidine; In dimethyl sulfoxide; at 20 ℃; for 3h;

DOI:10.2533/chimia.2007.219

Reference yield:

3-Phenylpropenol (104-54-1) → 2-phenyl-2H-chromene-3-carboxaldehyde (57543-47-2,911107-22-7)

Guidance literature:

Multi-step reaction with 2 steps

1: ; tert.-butylhydroperoxide; oxygen / toluene / 16 h / 60 °C / 750.08 Torr

2: pyrrolidine / tetrahydrofuran / 60 °C / Molecular sieve

With pyrrolidine; tert.-butylhydroperoxide; oxygen; In tetrahydrofuran; toluene;

DOI:10.1002/cctc.201600925

upstream raw materials:

(E)-3-phenylpropenal

salicylaldehyde

3-phenyl-propenal

3-Phenylpropenol

Downstream raw materials:

(2S,1'R)-3-(1'-hydroxypropyl)-2-phenyl-2H-chromene

(2R,1'R)-3-(1'-hydroxypropyl)-2-phenyl-2H-chromene