6-Hydroxychromene-3-carboxaldehyde

Base Information

• Chemical Name: 6-Hydroxychromene-3-carboxaldehyde
• CAS No.: 134822-76-7
• Molecular Formula: C10H8O3
• Molecular Weight: 176.17
• Hs Code.: 2912491000
• European Community (EC) Number: 634-376-8
• DSSTox Substance ID: DTXSID50406391
• Wikidata: Q82211333
• Mol file: 134822-76-7.mol

Synonyms:6-Hydroxychromene-3-carboxaldehyde;134822-76-7;6-hydroxy-2H-chromene-3-carbaldehyde;6-Hydroxy-2H-chromene-3-carboxaldehyde;SCHEMBL1079406;DTXSID50406391;JSPGOHYLKVWWKI-UHFFFAOYSA-N;6-Hydroxy-2H-3-chromenecarbaldehyde;MFCD03548123;AKOS000296863;6-Hydroxychromene-3-carboxaldehyde, 97%;PS-11568;6-hydroxy-2H-1-benzopyran-3-carboxaldehyde;CS-0324481;FT-0621165;E84223;J-006610

Chemical Property of 6-Hydroxychromene-3-carboxaldehyde

Chemical Property:

• Vapor Pressure: 8.04E-07mmHg at 25°C
• Melting Point: 170-174 °C
• Refractive Index: 1.706
• Boiling Point: 395.5°Cat760mmHg
• PKA: 9.70±0.20(Predicted)
• Flash Point: 166.3°C
• PSA: 46.53000
• Density: 1.425g/cm³
• LogP: 1.40990
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 176.047344113
• Heavy Atom Count: 13
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

6-Hydroxychromene-3-carboxaldehyde 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Hydroxychromene-3-carboxaldehyde

There total 3 articles about 6-Hydroxychromene-3-carboxaldehyde 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:

2,5-Dihydroxybenzaldehyde (1194-98-5) + acrolein (107-02-8,25068-14-8) → 6-Hydroxy-2H-3-chromenecarbaldehyde (134822-76-7)

Guidance literature:

With potassium carbonate; In 1,4-dioxane; at 100 ℃; for 1h;

DOI:10.1021/jm00075a013

Reference yield:

→ 6-Hydroxy-2H-3-chromenecarbaldehyde (134822-76-7)

Guidance literature:

Reference yield:

→ 6-Hydroxy-2H-3-chromenecarbaldehyde (134822-76-7) + 3-[(N-Aminocarbonyl-N-hydroxy)aminomethyl]-6-(cyclohexylmethyloxy)-2H-1-benzopyran

Guidance literature:

upstream raw materials:

2,5-Dihydroxybenzaldehyde

acrolein

Downstream raw materials:

6-(3-phenylpropyloxy)-2H-1-benzopyran-3-carboxaldehyde

6-(4-trifluoromethylbenzyloxy)-2H-1-benzopyran-3-carboxaldehyde

Refernces

• 1、 Satoh,Stanton,Hutchison,Libby,Kowalski,Lee,White,Kimble. "Substituted chromenes as potent, orally active 5-lipoxygenase inhibitors". . p. 3580 - 3594. Retrieved 2007/10/02.