1-Phenylisochroman-3-ol

Base Information

Chemical Name:1-Phenylisochroman-3-ol
CAS No.:42710-40-7
Molecular Formula:C₁₅H₁₄O₂
Molecular Weight:226.275
Hs Code.:2932999099
DSSTox Substance ID:DTXSID801270682
Nikkaji Number:J347.026A
Mol file:42710-40-7.mol

Synonyms:1-Phenylisochroman-3-ol;42710-40-7;1-Phenyl-3,4-dihydro-1H-2-benzopyran-3-ol;DTXSID801270682;3,4-Dihydro-1-phenyl-1H-2-benzopyran-3-ol

Suppliers and Price of 1-Phenylisochroman-3-ol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 1-Phenylisochroman-3-ol

Chemical Property:

PSA：29.46000
LogP:2.66710
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:226.099379685
Heavy Atom Count:17
Complexity:247

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(OC(C2=CC=CC=C21)C3=CC=CC=C3)O

Technology Process of 1-Phenylisochroman-3-ol

There total 8 articles about 1-Phenylisochroman-3-ol 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: 41.6%

: 130089-27-9
2-<2-(α-Hydroxybenzyl)-phenyl>-acetaldehyddimethylacetal

: 42710-40-7
3,4-Dihydro-1-phenyl-1H-2-benzopyran-3-ol

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; for 90h; Ambient temperature;
DOI:10.1002/ardp.19903230810

Reference yield: 26.0%

: 130089-30-4
2-<2-(α-Hydroxybenzyl)-phenyl>-acetaldehydethylenacetal

: 130089-40-6
1-Phenyl-1H-2-benzopyran

: 42710-40-7
3,4-Dihydro-1-phenyl-1H-2-benzopyran-3-ol

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; for 48h; Heating;
DOI:10.1002/ardp.19903230810

Reference yield:

: 6630-33-7
ortho-bromobenzaldehyde

: 42710-40-7
3,4-Dihydro-1-phenyl-1H-2-benzopyran-3-ol

Guidance literature:: Multi-step reaction with 6 steps

1: 90.6 percent / NaOMe / methanol / 1.) 1 h, -10 deg C, 2.) 16 h, room temperature

2: 86.4 percent / aq. KOH / ethanol / 1 h

3: 52.4 percent / Heating

4: 76.7 percent / p-TsOH / benzene / 4 h / Heating

5: 1.) n-BuLi / 1.) THF, hexane, -82 deg C, 1 h, 2.) THF, 2 h

6: 25.8 percent / 0.2 N aq. HCl / dioxane / 48 h / Heating

With hydrogenchloride; potassium hydroxide; n-butyllithium; sodium methylate; toluene-4-sulfonic acid; In 1,4-dioxane; methanol; ethanol; benzene;
DOI:10.1002/ardp.19903230810