Benzyl 6-Bromohexyl Ether

Base Information

• Chemical Name: Benzyl 6-Bromohexyl Ether
• CAS No.: 54247-27-7
• Molecular Formula: C13H19BrO
• Molecular Weight: 271.197
• Hs Code.: 2909309090
• European Community (EC) Number: 678-201-3
• DSSTox Substance ID: DTXSID00382813
• Nikkaji Number: J1.459.883I
• Wikidata: Q82174260
• Mol file: 54247-27-7.mol

Synonyms:54247-27-7;Benzyl 6-Bromohexyl Ether;(((6-Bromohexyl)oxy)methyl)benzene;6-bromohexoxymethylbenzene;1-Bromo-6-benzyloxylhexane;Benzene, [[(6-bromohexyl)oxy]methyl]-;{[(6-bromohexyl)oxy]methyl}benzene;Benzyloxyhexyl Bromide;6-Benzyloxyhexyl bromide;1-bromo-6-benzyloxyhexane;6-Benzyloxy-1-bromohexane;(6-Bromohexyloxymethyl)benzene;SCHEMBL4229986;((6-bromohexyl)oxymethyl)benzene;((6-bromohexyloxy)methyl)benzene;DTXSID00382813;UHDZRWPKYMHVNV-UHFFFAOYSA-N;MFCD02258455;AKOS016009409;AB91751;CS-W012372;AS-61761;B2820;FT-0640229;S12029;A830063;8-BENZYLOXY-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLICACIDETHYLESTER

Chemical Property of Benzyl 6-Bromohexyl Ether

Chemical Property:

• Vapor Pressure: 0.000609mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 320.1oC at 760 mmHg
• Flash Point: 143.8oC
• PSA: 9.23000
• Density: 1.21
• LogP: 4.15850
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 270.06193
• Heavy Atom Count: 15
• Complexity: 133

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzyl 6-Bromohexyl Ether ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COCCCCCCBr

Technology Process of Benzyl 6-Bromohexyl Ether

There total 10 articles about Benzyl 6-Bromohexyl Ether 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: 100.0%

1-bromo-6-hexanol (4286-55-9) + benzyl mesylate (55791-06-5) → 1-bromo-6-benzyloxyhexane (54247-27-7)

Guidance literature:

With magnesium oxide; lithium trifluoromethanesulfonate; lithium tetrakis(pentafluorophenyl)borate; In dichloromethane; cyclohexane; at 20 ℃; for 24h;

DOI:10.1246/cl.2000.1352

Reference yield: 96.0%

O-6-(benzyloxy)hexyl dimethylcarbamothioate (1110667-74-7) → 1-bromo-6-benzyloxyhexane (54247-27-7)

Guidance literature:

With 4-(bromomethylene)morpholin-4-ium bromide; In dichloromethane; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1055/s-0028-1083195

Reference yield: 93.0%

6-benzyloxyhexan-1-ol (71126-73-3) → 1-bromo-6-benzyloxyhexane (54247-27-7)

Guidance literature:

With 1H-imidazole; carbon tetrabromide; triphenylphosphine; In dichloromethane; at 0 - 20 ℃; for 3h;

DOI:10.1021/acs.orglett.1c00720

upstream raw materials:

6-benzyloxyhexan-1-ol

6-benzyloxyhexyl 4-methylbenzenesulfonate

1 ,6-dibromohexane

benzyl alcohol

Downstream raw materials:

8-Benzyloxy-2-{[1-phenyl-meth-(E)-ylidene]-amino}-octanoic acid ethyl ester

2-(6-benzyloxyhexyl)isoindoline-1,3-dione

5-(6-Benzyloxy-hexyloxy)-6-methoxy-4-methyl-8-nitro-quinoline

(S)-12-(benzyloxy)-5-dodecanol

Refernces

• 1、 Erdeljac, Nathalie,Thiehoff, Christian,Jumde, Ravindra P.,Daniliuc, Constantin G.,H?ppner, Sandra,Faust, Andreas,Hirsch, Anna K. H.,Gilmour, Ryan. "Validating the 1,2-Difluoro Motif As a Hybrid Bioisostere of CF3and et Using Matrix Metalloproteinases As Structural Probes". . p. 6225 - 6237. Retrieved 2020/07/14.
• 2、 Yoshida, Masahito,Saito, Koya,Kato, Hikaru,Tsukamoto, Sachiko,Doi, Takayuki. "Total Synthesis and Biological Evaluation of Siladenoserinol A and its Analogues". supporting information. p. 5147 - 5150. Retrieved 2018/03/26.