Chroman-3-carbaldehyde

Base Information

• Chemical Name: Chroman-3-carbaldehyde
• CAS No.: 944903-95-1
• Molecular Formula: C₁₀H₁₀O₂
• Molecular Weight: 162.188
• European Community (EC) Number: 848-779-3
• Nikkaji Number: J3.205.974K
• Mol file: 944903-95-1.mol

Synonyms:CHROMAN-3-CARBALDEHYDE;944903-95-1;3,4-dihydro-2H-chromene-3-carbaldehyde;3,4-DIHYDRO-2H-1-BENZOPYRAN-3-CARBALDEHYDE;SCHEMBL833089;CHROMANE-3-CARBALDEHYDE;AKOS005217892;AB56552;EN300-1223539;F2147-3063;Z1079442708

Chemical Property of Chroman-3-carbaldehyde

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

Chroman-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(COC2=CC=CC=C21)C=O

Technology Process of Chroman-3-carbaldehyde

There total 8 articles about Chroman-3-carbaldehyde 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%

hydroxymethyl-3 chromanne (76727-28-1) → chromane-3-carbaldehyde (944903-95-1)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 ℃;

DOI:10.1021/jo4003097

Reference yield: 82.0%

2H-chromene-3-carbaldehyde (51593-69-2) → chromane-3-carbaldehyde (944903-95-1)

Guidance literature:

With ene-reductase from Lycopersicon esculentum; NADH; In aq. phosphate buffer; at 30 ℃; for 5h; pH=7; Reagent/catalyst; Enzymatic reaction;

DOI:10.1039/c4ob02282c

Reference yield: 5.0%

2H-chromene-3-carbaldehyde (51593-69-2) → 2H-chromene-3-carboxylic acid (22649-28-1) + chromane-3-carbaldehyde (944903-95-1) + 3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (115822-57-6)

Guidance literature:

With aldehyde dehydrogenase from E_.coli; ene-reductase from Saccharomyces cerevisiae; NADH; In aq. phosphate buffer; at 30 ℃; for 5h; pH=7; Enzymatic reaction;

DOI:10.1039/c4ob02282c

upstream raw materials:

2H-chromene-3-carbaldehyde

salicylaldehyde

(2H-chromen-3-yl)methanol

hydroxymethyl-3 chromanne

Refernces

• 1、 Brenna, Elisabetta,Gatti, Francesco G.,Malpezzi, Luciana,Monti, Daniela,Parmeggiani, Fabio,Sacchetti, Alessandro. "Synthesis of robalzotan, ebalzotan, and rotigotine precursors via the stereoselective multienzymatic cascade reduction of α,β-unsaturated aldehydes". . p. 4811 - 4822. Retrieved 2013/07/05.