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

Base Information

• Chemical Name: 7-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran
• CAS No.: 10178-57-1
• Molecular Formula: C₁₀H₁₁BrO
• Molecular Weight: 227.101
• Hs Code.: 2932999099
• European Community (EC) Number: 824-588-0
• NSC Number: 116035
• DSSTox Substance ID: DTXSID20297455
• Nikkaji Number: J2.994.311G
• Wikidata: Q82038557
• Mol file: 10178-57-1.mol

Synonyms:7-bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran;10178-57-1;7-bromo-2,2-dimethyl-3H-1-benzofuran;NSC116035;SCHEMBL8897383;DTXSID20297455;XTVAFNBOFMUWAK-UHFFFAOYSA-N;MFCD11858106;7-bromo-2,2-dimethyl-3H-benzofuran;AKOS023833206;AB64871;AT23972;NSC-116035;BS-13680;7-bromo-2,3-dihydro-2,2-dimethylbenzofuran;CS-0249455;EN300-43553;7-BROMO-2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN;J-000497;Z440813876

Chemical Property of 7-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran

Chemical Property:

• Vapor Pressure: 0.0192mmHg at 25°C
• Boiling Point: 261°C at 760 mmHg
• Flash Point: 103.4°C
• PSA: 9.23000
• Density: 1.383g/cm³
• LogP: 3.16260
• XLogP3: 3.1
• 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:

97% ^*data from raw suppliers

7-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran ^*data from reagent 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 7-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran

There total 4 articles about 7-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: 84.0%

2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl trifluoromethasulfonate (308110-31-8) → 7-bromo-2,3-dihydro-2,2-dimethylbenzofuran (10178-57-1)

Guidance literature:

With potassium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; t-BuBrettPhos; potassium bromide; In 1,4-dioxane; at 130 ℃; for 16h; Inert atmosphere;

DOI:10.1021/ol202098h

Reference yield: 55.0%

7-(2'-hydroxy-2'-methylpropyl)-1H-benzotriazol-1-amine (153529-64-7) → 7-bromo-2,3-dihydro-2,2-dimethylbenzofuran (10178-57-1)

Guidance literature:

With N-Bromosuccinimide; 1-penten; In dichloromethane; at 20 ℃;

DOI:10.1016/S0040-4039(00)91836-7

Reference yield:

2,3-dihydro-2,2-dimethyl-7-aminobenzofuran (68298-46-4) → 7-bromo-2,3-dihydro-2,2-dimethylbenzofuran (10178-57-1)

Guidance literature:

With hydrogen bromide; sodium nitrite; copper(I) bromide; In water; Petroleum ether;

upstream raw materials:

7-(2'-hydroxy-2'-methylpropyl)-1H-benzotriazol-1-amine

[7-(2-Hydroxy-2-methyl-propyl)-benzotriazol-1-yl]-carbamic acid tert-butyl ester

2,3-dihydro-2,2-dimethyl-7-aminobenzofuran

2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl trifluoromethasulfonate

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