1,3-Dihydroisobenzofuran-5-ol

Base Information

• Chemical Name: 1,3-Dihydroisobenzofuran-5-ol
• CAS No.: 68747-25-1
• Molecular Formula: C8H8O2
• Molecular Weight: 136.15
• European Community (EC) Number: 866-844-4
• DSSTox Substance ID: DTXSID301308169
• Nikkaji Number: J1.670.296J
• ChEMBL ID: CHEMBL4588521
• Mol file: 68747-25-1.mol

Synonyms:1,3-dihydroisobenzofuran-5-ol;68747-25-1;1,3-dihydro-2-benzofuran-5-ol;5-Isobenzofuranol, 1,3-dihydro-;1,3-Dihydro-5-isobenzofuranol;SCHEMBL4971713;CHEMBL4588521;OMVUEHUKKCOJTN-UHFFFAOYSA-N;DTXSID301308169;5-hydroxy-1,3-dihydroisobenzofuran;MFCD09842493;AKOS006311086;D78662;EN300-304558

Chemical Property of 1,3-Dihydroisobenzofuran-5-ol

Chemical Property:

• Melting Point: 120 °C
• PSA: 29.46000
• LogP: 1.42240
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 136.052429494
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

97% ^*data from raw suppliers

1,3-Dihydroisobenzofuran-5-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2=C(CO1)C=C(C=C2)O

Technology Process of 1,3-Dihydroisobenzofuran-5-ol

There total 1 articles about 1,3-Dihydroisobenzofuran-5-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: 44.0%

2-((prop-2-yn-1-yloxy)methyl)furan (32904-79-3) → 5-hydroxy-1,3-dihydroisobenzofuran (68747-25-1) + 1,3-dihydro-4-isobenzo- furanol (417704-22-4)

Guidance literature:

platinum(II) chloride; In acetone; for 16h; Heating;

DOI:10.1002/1521-3773(20011217)40:24<4754::AID-ANIE4754>3.0.CO;2-9

Reference yield: 96.0%

4-Fluoronitrobenzene (350-46-9,178603-76-4) + 5-hydroxy-1,3-dihydroisobenzofuran (68747-25-1) → 5[(4-nitrophenyl)oxy]-1,3-dihydro-2-benzofuran (1415599-59-5)

Guidance literature:

With potassium carbonate; In acetonitrile; at 100 ℃; Inert atmosphere; Closed vial;

Reference yield:

benzyl 4-(((4-(trifluoromethyl)phenyl)sulfonyl)oxy)piperidine-1-carboxylate + 5-hydroxy-1,3-dihydroisobenzofuran (68747-25-1) → benzyl 4-((1,3-dihydro-2-benzofuran-5-yl)oxy)piperidine-1-carboxylate

Guidance literature:

With potassium phosphate; In acetonitrile; at 60 ℃;

upstream raw materials:

2-((prop-2-yn-1-yloxy)methyl)furan

Downstream raw materials:

(R)-ethyl 2-((R)-1-phenylethylamino)-2-(1,3-dihydro-5-hydroxyisobenzofuran-6-yl)acetate

(S)-ethyl 2-((R)-1-phenylethylamino)-2-(1,3-dihydro-5-hydroxyisobenzofuran-6-yl)acetate

5[(4-nitrophenyl)oxy]-1,3-dihydro-2-benzofuran

4-(1,3-dihydro-2-benzofuran-5-yloxy)aniline