6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran

Base Information

• Chemical Name: 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran
• CAS No.: 71822-00-9
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.269
• DSSTox Substance ID: DTXSID60992518
• Nikkaji Number: J1.765.107B
• Metabolomics Workbench ID: 44948
• ChEMBL ID: CHEMBL1824096
• Mol file: 71822-00-9.mol

Synonyms:71822-00-9;Demethoxyencecalinol;1-(2,2-dimethylchromen-6-yl)ethanol;6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran;1-(2,2-dimethyl-2H-chromen-6-yl)ethan-1-ol;2H-1-Benzopyran-6-methanol, alpha,2,2-trimethyl-;starbld0039235;CHEMBL1824096;DTXSID60992518;CHEBI:180839;AKOS040762847;6-(1'-Hydroxyethyl)-2,2-dimethylchromene;6-(1'-hydroxylethyl)-2,2-dimethyl chromene;2,2-Dimethyl-6-(1-hydroxyethyl)-alpha-chromene;alpha,2,2-Trimethyl-2h-1-benzopyran-6-methanol;a,2,2-Trimethyl-2H-1-benzopyran-6-methanol, 9CI;1-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethan-1-ol

Chemical Property of 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran

Chemical Property:

• Vapor Pressure: 0.000112mmHg at 25°C
• Boiling Point: 322.9°Cat760mmHg
• Flash Point: 138.3°C
• Density: 1.074g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 257

Purity/Quality:

97.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC2=C(C=C1)OC(C=C2)(C)C)O

Technology Process of 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran

There total 9 articles about 6-(1-Hydroxyethyl)-2,2-dimethyl-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: 90.0%

desmethoxyencecalin (19013-07-1) → <1-hydroxyethyl>-2,2-dimethylchromene (71822-00-9)

Guidance literature:

With potassium borohydride;

Reference yield: 70.0%

methyl magnesium iodide (917-64-6) + 6-formyl-2,2-dimethyl-2H-chromene (69964-40-5) → <1-hydroxyethyl>-2,2-dimethylchromene (71822-00-9)

Guidance literature:

Reference yield:

isoprene (78-79-5,9003-31-0) → <1-hydroxyethyl>-2,2-dimethylchromene (71822-00-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 50 percent / H₃PO₄

2: 40 percent / NBS

3: 70 percent

With N-Bromosuccinimide; phosphoric acid;

upstream raw materials:

methyl magnesium iodide

6-formyl-2,2-dimethyl-2H-chromene

desmethoxyencecalin

2,2,6-trimethyl-3,4-dihydro-2H-chromene