1-methyl-3,4-dihydro-1H-2-benzopyran

Base Information

• Chemical Name: 1-methyl-3,4-dihydro-1H-2-benzopyran
• CAS No.: 26164-06-7
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• DSSTox Substance ID: DTXSID40498487
• Nikkaji Number: J3.345.493G
• Mol file: 26164-06-7.mol

Synonyms:1-methyl-3,4-dihydro-1H-2-benzopyran;26164-06-7;1-Methylisochroman;SCHEMBL660714;DTXSID40498487

Chemical Property of 1-methyl-3,4-dihydro-1H-2-benzopyran

Chemical Property:

• Boiling Point: 234.7 °C at 760 mmHg
• Flash Point: 91.3 °C
• Density: 1.006 g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=CC=CC=C2CCO1

Technology Process of 1-methyl-3,4-dihydro-1H-2-benzopyran

There total 4 articles about 1-methyl-3,4-dihydro-1H-2-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:

2-(2-Methoxyethyl)benzaldehyde tosylhydrazone (119367-74-7) → isochromane (493-05-0) + 1-methyl-3,4-dihydro-1H-2-benzopyran (26164-06-7) + indan-2-yl methyl ether (81887-53-8) + 1-(2-Methoxyethyl)-2-(methoxymethyl)benzene (15018-15-2)

Guidance literature:

With sodium methylate; In methanol; for 2h; Yield given. Further byproducts given. Yields of byproduct given; Ambient temperature; Irradiation;

DOI:10.1021/ja00186a048

Reference yield:

C17H19N2O3S(1-)*Na(1+) (119391-26-3) → isochromane (493-05-0) + 1-methyl-3,4-dihydro-1H-2-benzopyran (26164-06-7) + 1,2,4,5-tetrahydrobenzo[d]oxepine (5368-66-1) + 1-methoxyindane (1006-27-5) + indan-2-yl methyl ether (81887-53-8) + 7-(Methoxymethyl)bicyclo<4.2.0>octa-1,3,5-triene (119367-76-9)

Guidance literature:

at 320 ℃; under 0.001 Torr; Mechanism;

DOI:10.1021/ja00186a048

Reference yield:

C17H19N2O3S(1-)*Na(1+) (119391-26-3) → 1-methyl-3,4-dihydro-1H-2-benzopyran (26164-06-7) + 1,2,4,5-tetrahydrobenzo[d]oxepine (5368-66-1) + 1-methoxyindane (1006-27-5) + indan-2-yl methyl ether (81887-53-8)

Guidance literature:

at 320 ℃; under 0.001 Torr; Yield given. Further byproducts given. Yields of byproduct given;

DOI:10.1021/ja00186a048

upstream raw materials:

2-(2-Methoxyethyl)benzaldehyde tosylhydrazone

C₁₇H₁₉N₂O₃S^(1-)*Na⁽¹⁺⁾

1-methoxy-2-methyl-1-trimethylsiloxy-1-propene

2-(2-vinylphenyl)ethanol

Downstream raw materials:

1-(2-hydroxyethyl)-2-ethylbenzene

trans-1-(2-hydroxyethyl)-2-ethylcyclohexane

cis-1-(2-hydroxyethyl)-2-ethylcyclohexane

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