2-[(4-Bromophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran

Base Information

• Chemical Name: 2-[(4-Bromophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran
• CAS No.: 86698-37-5
• Molecular Formula: C17H15BrO2
• Molecular Weight: 331.209
• DSSTox Substance ID: DTXSID60372836
• Wikidata: Q82160756
• ChEMBL ID: CHEMBL3290595

Synonyms:86698-37-5;2-[(4-bromophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran;Furan, 2,2'-[(4-bromophenyl)methylene]bis[5-methyl-;2-[(4-bromophenyl)(5-methyl-2-furyl)methyl]-5-methylfuran;CHEMBL3290595;DTXSID60372836;OPKLDYDOSFGXEK-UHFFFAOYSA-N;STK792578;AKOS000674822;EU-0070856;AG-690/11571162;SR-01000427350;5,5'-((4-Bromophenyl)methylene)bis(2-methylfuran);SR-01000427350-1;2,2'-[(4-bromophenyl)methanediyl]bis(5-methylfuran)

Chemical Property of 2-[(4-Bromophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran

Chemical Property:

• PSA: 26.28000
• LogP: 5.43210
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 330.02554
• Heavy Atom Count: 20
• Complexity: 294

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(O1)C(C2=CC=C(C=C2)Br)C3=CC=C(O3)C

Technology Process of 2-[(4-Bromophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran

There total 3 articles about 2-[(4-Bromophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran 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: 92.0%

2-methylfuran (534-22-5) + 4-bromo-benzaldehyde (1122-91-4) → 1,1-di(5-methylfuryl)-1-(4-bromophenyl)methane (86698-37-5)

Guidance literature:

With perchloric acid; In benzene; Heating;

DOI:10.1007/BF00514452

Reference yield: 87.0%

2-methylfuran (534-22-5) + N-(4-bromobenzylidene)-4-methylbenzenesulfonamide (36176-90-6) → 1,1-di(5-methylfuryl)-1-(4-bromophenyl)methane (86698-37-5)

Guidance literature:

With iron(III) chloride hexahydrate; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jo1010137

Reference yield:

2-methylfuran (534-22-5) + 4-methyl-N-(4-bromophenyl(tosyl)methyl)benzenesulfonamide (1236810-76-6) → 1,1-di(5-methylfuryl)-1-(4-bromophenyl)methane (86698-37-5)

Guidance literature:

With iron(III) chloride hexahydrate; In dichloromethane; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jo1010137

upstream raw materials:

2-methylfuran

4-bromo-benzaldehyde

4-methyl-N-(4-bromophenyl(tosyl)methyl)benzenesulfonamide

N-(4-bromobenzylidene)-4-methylbenzenesulfonamide

Downstream raw materials:

2-[(4-Bromo-phenyl)-(5-methyl-thiophen-2-yl)-methyl]-5-methyl-furan

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