1H-2-Benzopyran, 3,4-dihydro-1,3-dimethoxy-

Base Information

• Chemical Name: 1H-2-Benzopyran, 3,4-dihydro-1,3-dimethoxy-
• CAS No.: 100058-92-2
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• DSSTox Substance ID: DTXSID60503507
• Mol file: 100058-92-2.mol

Synonyms:100058-92-2;1H-2-Benzopyran, 3,4-dihydro-1,3-dimethoxy-;1,3-dimethoxy-3,4-dihydro-1H-isochromene;DTXSID60503507;1,3-Dimethoxy-3,4-dihydro-1H-2-benzopyran

Chemical Property of 1H-2-Benzopyran, 3,4-dihydro-1,3-dimethoxy-

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1CC2=CC=CC=C2C(O1)OC

Technology Process of 1H-2-Benzopyran, 3,4-dihydro-1,3-dimethoxy-

There total 5 articles about 1H-2-Benzopyran, 3,4-dihydro-1,3-dimethoxy- 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: 51.0%

methanol (67-56-1) + 1-indene (95-13-6) → 2-(2-oxoethyl)benzaldehyde (25705-34-4) + cis-indane-1,2-diol (4370-02-9,4647-42-1,4647-43-2,67528-22-7,67528-23-8,71214-80-7,71214-82-9,78737-68-5) + (+/-)-3,4-Dihydro-1,3-dimethoxy-1H-2-benzopyran (100058-92-2) + 1-Methoxy-indan-2-yl-hydroperoxide (67458-72-4,67458-73-5)

Guidance literature:

With oxygen; rose bengal; at 15 - 20 ℃; for 48h; Irradiation;

DOI:10.1246/bcsj.53.2655

Reference yield: 23.0%

trimethylsilanyl-acetic acid ethyl ester (4071-88-9) + Homophthalaldehyd-monodimethylacetal (112396-12-0) → (+/-)-3,4-Dihydro-1,3-dimethoxy-1H-2-benzopyran (100058-92-2) + Ethyl-3-<2-(2,2-dimethoxyethyl)phenyl>propenoat (138722-11-9)

Guidance literature:

tetrabutyl ammonium fluoride; In tetrahydrofuran; at -60 ℃; for 4h;

Reference yield:

methanol (67-56-1) + 1-indene (95-13-6) → cis-indane-1,2-diol (4370-02-9,4647-42-1,4647-43-2,67528-22-7,67528-23-8,71214-80-7,71214-82-9,78737-68-5) + trans-1-methoxy-2-hydroxyindan (56175-44-1,56175-45-2,71192-96-6,71720-52-0) + (+/-)-3,4-Dihydro-1,3-dimethoxy-1H-2-benzopyran (100058-92-2) + cis-1-methoxy-2-indanol (56175-44-1,56175-45-2,71192-96-6,71720-52-0)

Guidance literature:

With sodium tetrahydroborate; methylene blue; Yield given. Multistep reaction. Yields of byproduct given; 1.) 28 h, irrad., 2.) RT, 24 h;

DOI:10.1246/bcsj.53.2655

upstream raw materials:

trimethylsilanyl-acetic acid ethyl ester

Homophthalaldehyd-monodimethylacetal

methanol

1-indene

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