7-Chloro-2-((4-methoxyphenyl)methyl)-3-methyl-5-propyl-4-benzofuranol

Base Information

• Chemical Name: 7-Chloro-2-((4-methoxyphenyl)methyl)-3-methyl-5-propyl-4-benzofuranol
• CAS No.: 102612-16-8
• Molecular Formula: C20H21 Cl O3
• Molecular Weight: 344.83
• DSSTox Substance ID: DTXSID30145357
• Nikkaji Number: J326.571D
• Wikidata: Q83009865
• Pharos Ligand ID: 9J7PTP1K7N14
• ChEMBL ID: CHEMBL17815
• Mol file: 102612-16-8.mol

Synonyms:7-chloro-2-((4-methoxyphenyl)methyl)-3-methyl-5-propyl-4-benzofuranol;L 656224;L-656,224;L-656224

Chemical Property of 7-Chloro-2-((4-methoxyphenyl)methyl)-3-methyl-5-propyl-4-benzofuranol

Chemical Property:

• Vapor Pressure: 2.73E-06mmHg at 25°C
• Boiling Point: 379.2°Cat760mmHg
• Flash Point: 183.1°C
• PSA: 42.60000
• Density: 1.206g/cm³
• LogP: 5.65210
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 344.1179222
• Heavy Atom Count: 24
• Complexity: 396

Purity/Quality:

99% ^*data from raw suppliers

7-CHLORO-2-((4-METHOXYPHENYL)METHYL)-3-METHYL-5-PROPYL-4-BENZOFURANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=C2C(=C1O)C(=C(O2)CC3=CC=C(C=C3)OC)C)Cl

Technology Process of 7-Chloro-2-((4-methoxyphenyl)methyl)-3-methyl-5-propyl-4-benzofuranol

There total 3 articles about 7-Chloro-2-((4-methoxyphenyl)methyl)-3-methyl-5-propyl-4-benzofuranol 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: 75.0%

4-hydroxy-7-chloro-2-(p-methoxybenzoyl)-3-methyl-5-propylbenzofuran (120034-11-9) → 4-hydroxy-7-chloro-2-<(4'-methoxyphenyl)methyl>-3-methyl-5-propylbenzofuran (102612-16-8)

Guidance literature:

With sodium cyanoborohydride; zinc(II) iodide; In 1,2-dichloro-ethane; for 6h; Heating;

DOI:10.1021/jm00126a008

Reference yield:

2,6-dihydroxy-3-propyl-5-chloro-acetophenone (102624-59-9) → 4-hydroxy-7-chloro-2-<(4'-methoxyphenyl)methyl>-3-methyl-5-propylbenzofuran (102612-16-8)

Guidance literature:

Multi-step reaction with 2 steps

2: 75 percent / ZnI₂, NaCNBH₄ / 1,2-dichloro-ethane / 6 h / Heating

With sodium cyanoborohydride; zinc(II) iodide; In 1,2-dichloro-ethane;

DOI:10.1021/jm00126a008

Reference yield:

2-Bromo-4'-methoxyacetophenone (2632-13-5) → 4-hydroxy-7-chloro-2-<(4'-methoxyphenyl)methyl>-3-methyl-5-propylbenzofuran (102612-16-8)

Guidance literature:

Multi-step reaction with 2 steps

2: 75 percent / ZnI₂, NaCNBH₄ / 1,2-dichloro-ethane / 6 h / Heating

With sodium cyanoborohydride; zinc(II) iodide; In 1,2-dichloro-ethane;

DOI:10.1021/jm00126a008

upstream raw materials:

4-hydroxy-7-chloro-2-(p-methoxybenzoyl)-3-methyl-5-propylbenzofuran

2,6-dihydroxy-3-propyl-5-chloro-acetophenone

2-Bromo-4'-methoxyacetophenone

Downstream raw materials:

4-hydroxy-7-chloro-2-(p-methoxybenzoyl)-3-methyl-5-propylbenzofuran

2-<(4'-hydroxyphenyl)methyl>-3-methyl-4-hydroxy-5-propyl-7-chlorobenzofuran

7-chloro-2,3-dihydro-2-(4-methoxybenzyl)-3-methyl-5-propyl-4-benzofuranol

2-<<4'-(carbethoxymethoxy)phenyl>methyl>-3-methyl-4-acetoxy-5-propyl-7-chlorobenzofuran

Refernces