5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran

Base Information

• Chemical Name: 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran
• CAS No.: 5337-94-0
• Molecular Formula: C10H11BrO
• Molecular Weight: 227.0977
• European Community (EC) Number: 827-403-1
• NSC Number: 853
• DSSTox Substance ID: DTXSID00277098
• Nikkaji Number: J811.921J
• Wikidata: Q82008011
• Mol file: 5337-94-0.mol

Synonyms:5337-94-0;5-bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran;5-BROMO-2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN;5-bromo-2,2-dimethyl-3H-1-benzofuran;5-BROMO-2,3-DIHYDRO-2,2-DIMETHYLBENZOFURAN;NSC853;SCHEMBL5269029;DTXSID00277098;NSC 853;NSC-853;AKOS005362866;AB66615;5-BROMO-2,2-DIMETHYLBENZOFURAN;2,2-Dimethyl-5-bromo-2,3-dihydrobenzofuran;EN300-67242;5-Bromo-2,2-dimethyl-2,3-dihydrobenzo[b]furan;Z975902306

Chemical Property of 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran

Chemical Property:

• Vapor Pressure: 0.0216mmHg at 25°C
• Boiling Point: 258.9°C at 760 mmHg
• Flash Point: 102.5°C
• Density: 1.383g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 225.99933
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC2=C(O1)C=CC(=C2)Br)C

Technology Process of 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran

There total 8 articles about 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran 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: 88.0%

4-bromo-2-(2’-methylallyl)phenol (1165738-86-2) → 5-Bromo-2,2-dimethyl-2,3-dihydrobenzo[b]furan (5337-94-0)

Guidance literature:

With iodine; In dichloromethane; at 20 ℃; for 48h;

Reference yield: 87.0%

→ 5-Bromo-2-methyl-2.3-dihydro-1-benzo[b]furan + 5-Bromo-2,2-dimethyl-2,3-dihydrobenzo[b]furan (5337-94-0)

Guidance literature:

Reference yield: 79.0%

2,2-dimethyl-2,3-dihydro-1-benzofuran (6337-33-3) → 5-Bromo-2,2-dimethyl-2,3-dihydrobenzo[b]furan (5337-94-0)

Guidance literature:

In 1,1-dichloroethane; pentane;

upstream raw materials:

1-(2’-methylallyloxy)-4-bromobenzene

2,2-dimethyl-2,3-dihydro-1-benzofuran

4-bromo-2-(2’-methylallyl)phenol

4-bromo-phenol

Downstream raw materials:

C₁₁H₁₁NO

2,3-dihydro-2,2-dimethylbenzofuran-5-carboxaldehyde