5-Hydroxy-2,2-dimethyl-2H-chromene-6-carbaldehyde

Base Information

• Chemical Name: 5-Hydroxy-2,2-dimethyl-2H-chromene-6-carbaldehyde
• CAS No.: 54287-99-9
• Molecular Formula: C12H12O3
• Molecular Weight: 204.225
• Hs Code.: 2912491000
• DSSTox Substance ID: DTXSID70454657
• Nikkaji Number: J1.060.401J
• Wikidata: Q82276314
• Mol file: 54287-99-9.mol

Synonyms:5-HYDROXY-2,2-DIMETHYL-2H-CHROMENE-6-CARBALDEHYDE;54287-99-9;5-HYDROXY-2,2-DIMETHYLCHROMENE-6-CARBALDEHYDE;6-Formyl-5-hydroxy-2,2-dimethyl-2H-benzopyran;Formyl 2,2-dimethyl-chromen;6-Formyl-2,2-dimethylchromen-5-ol;SCHEMBL5455390;DTXSID70454657;VLHVXYPFWRHKHE-UHFFFAOYSA-N;MFCD08705718;AKOS016004050;DS-3771;CS-0153819;FT-0721919;Y10203;2,2-dimethyl-6-formyl-5-hydroxy-2H-1-benzopyran;2,2-Dimethyl-5-hydroxy-2H-1-benzopyran-6-carbaldehyde

Chemical Property of 5-Hydroxy-2,2-dimethyl-2H-chromene-6-carbaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 70-71 °C(Solv: heptane (142-82-5))
• Refractive Index: 1.597
• Boiling Point: 309.965°C at 760 mmHg
• PKA: 7.76±0.40(Predicted)
• Flash Point: 117.82°C
• PSA: 46.53000
• Density: 1.208g/cm³
• LogP: 2.38890
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.078644241
• Heavy Atom Count: 15
• Complexity: 283

Purity/Quality:

97% ^*data from raw suppliers

5-Hydroxy-2,2-dimethyl-2H-chromene-6-carbaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=C2O)C=O)C

Technology Process of 5-Hydroxy-2,2-dimethyl-2H-chromene-6-carbaldehyde

There total 12 articles about 5-Hydroxy-2,2-dimethyl-2H-chromene-6-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: 100.0%

2-hydroxy-4-((2-methylbut-3-yn-2-yl)oxy)benzaldehyde (54287-98-8) → 5-hydroxy-2,2-dimethyl-2H-chromene-6-carbaldehyde (54287-99-9)

Guidance literature:

In m-xylene; at 180 ℃; for 0.5h; Microwave irradiation; Inert atmosphere;

DOI:10.1002/chem.201001080

Reference yield: 70.0%

2-methyl-but-3-yn-2-ol (115-19-5) + 2,4-Dihydroxybenzaldehyde (95-01-2) → 5-hydroxy-2,2-dimethyl-2H-chromene-6-carbaldehyde (54287-99-9)

Guidance literature:

With diphenyl(2-hydroxyphenylmethyl)phosphine oxide; In 5,5-dimethyl-1,3-cyclohexadiene; at 160 ℃; for 20h; Temperature; Inert atmosphere; Dean-Stark;

Reference yield: 69.0%

2,2-dimethyl-5-oxo-5,6,7,8-tetrahydro-2H-chromene-6-carbaldehyde → 5-hydroxy-2,2-dimethyl-2H-chromene-6-carbaldehyde (54287-99-9)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In benzene; for 3h; Heating;

DOI:10.1055/s-2006-926329

upstream raw materials:

2,4-dihydroxy-3-(3-methyl-2-but-en-1-yl)benzaldehyde

2-hydroxy-4-((2-methylbut-3-yn-2-yl)oxy)benzaldehyde

dimethylacetal of 3-methyl-3-hydroxybutyraldehyde

2,4-Dihydroxybenzaldehyde

Downstream raw materials:

6-formyl-5-hydroxy-2,2-dimethyl-3-phenylthiochroman

seseline

5-Methoxymethoxy-2,2-dimethyl-3-phenylsulfanyl-chroman-6-carbaldehyde

3-(5-methoxymethoxy-2,2-dimethyl-2H-benzopyran-6-yl)-1-(2-hydroxy-4-methoxymethoxyphenyl)prop-2-en-1-one