3,7-Dimethyl-8-hydroxy-6-methoxyisochroman

Base Information

• Chemical Name: 3,7-Dimethyl-8-hydroxy-6-methoxyisochroman
• CAS No.: 70080-82-9
• Molecular Formula: C12H16 O3
• Molecular Weight: 208.257
• DSSTox Substance ID: DTXSID00990331
• Nikkaji Number: J68.767G
• Wikidata: Q77625011
• Metabolomics Workbench ID: 46877
• ChEMBL ID: CHEMBL2261570
• Mol file: 70080-82-9.mol

Synonyms:3,4-dihydro-6-methoxy-3,7-dimethyl-1H-benzopyran-8-ol;DHMI-8

Chemical Property of 3,7-Dimethyl-8-hydroxy-6-methoxyisochroman

Chemical Property:

• Vapor Pressure: 2.36E-05mmHg at 25°C
• Boiling Point: 349.2°Cat760mmHg
• Flash Point: 165°C
• PSA: 38.69000
• Density: 1.119g/cm³
• LogP: 2.28020
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

3,4-DIHYDRO-6-METHOXY-3,7-DIMETHYL-1H-2-BENZOPYRAN-8-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=CC(=C(C(=C2CO1)O)C)OC

Technology Process of 3,7-Dimethyl-8-hydroxy-6-methoxyisochroman

There total 4 articles about 3,7-Dimethyl-8-hydroxy-6-methoxyisochroman 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: 98.0%

2-hydroxy-6-(2-hydroxypropyl)-4-methoxy-3-methylbenzaldehyde (886989-18-0) → 3-(2-hydroxy-propyl)-5-methoxy-2,6-dimethyl-phenol + 8-hydroxy-6-methoxy-3,7-dimethylisochromane (70080-82-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetone; at 20 ℃; for 4h;

DOI:10.1016/j.tet.2006.01.079

Reference yield: 97.0%

1,1'-oxydi(8-hydroxy-6-methoxy-3,7-dimethylisochromane) (886989-22-6) → 3-(2-hydroxy-propyl)-5-methoxy-2,6-dimethyl-phenol + 8-hydroxy-6-methoxy-3,7-dimethylisochromane (70080-82-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetone; at 20 ℃; for 4h;

DOI:10.1016/j.tet.2006.01.079

Reference yield: 92.0%

→ 8-hydroxy-6-methoxy-3,7-dimethylisochromane (70080-82-9) + phenol (108-95-2,27073-41-2)

Guidance literature:

upstream raw materials:

2-hydroxy-6-(2-hydroxypropyl)-4-methoxy-3-methylbenzaldehyde

1,1'-oxydi(8-hydroxy-6-methoxy-3,7-dimethylisochromane)

1-(3-hydroxy-5-methoxy-4-methylphenyl)-2-propanol

orthoformic acid triethyl ester