5-Phenoxypentyl Bromide

Base Information

• Chemical Name: 5-Phenoxypentyl Bromide
• CAS No.: 22921-72-8
• Molecular Formula: C11H15 Br O
• Molecular Weight: 243.143
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID40177467
• Nikkaji Number: J337.840C
• Wikidata: Q83047795
• Mol file: 22921-72-8.mol

Synonyms:5-Phenoxypentyl Bromide;22921-72-8;5-Phenoxyamyl Bromide;5-bromopentoxybenzene;((5-Bromopentyl)oxy)benzene;Benzene, [(5-bromopentyl)oxy]-;Benzene, ((5-bromopentyl)oxy)-;(5-bromopentyloxy)benzene;[(5-bromopentyl)oxy]benzene;Benzene,[(5-bromopentyl)oxy]-;1-Bromo-5-phenoxypentane;phenoxy pentyl bromide;(5-bromopentoxy)benzene;5-phenoxy-1-bromopentane;5-Bromoamyl Phenyl Ether;5-Bromopentyl Phenyl Ether;1-bromo-5-(phenoxy)pentane;SCHEMBL1172113;DTXSID40177467;XAA92172;MFCD00039203;AKOS012234514;AS-60193;CS-0208191;FT-0638265;P1847;D92167;A878383

Chemical Property of 5-Phenoxypentyl Bromide

Chemical Property:

• Vapor Pressure: 0.00157mmHg at 25°C
• Refractive Index: 1.54
• Boiling Point: 304.5°Cat760mmHg
• Flash Point: 120.2°C
• PSA: 9.23000
• Density: 1.262g/cm³
• LogP: 3.63060
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 242.03063
• Heavy Atom Count: 13
• Complexity: 111

Purity/Quality:

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

5-PhenoxypentylBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-Phenoxypentyl Bromide

There total 8 articles about 5-Phenoxypentyl Bromide 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: 98.0%

1,5-dibromo-pentane (111-24-0) + phenol (108-95-2,27073-41-2) → (5-bromopentoxy)benzene (22921-72-8)

Guidance literature:

With potassium carbonate; potassium iodide; In 1-methyl-pyrrolidin-2-one; at 90 ℃; for 4h;

Reference yield: 68.0%

→ (5-bromopentoxy)benzene (22921-72-8)

Guidance literature:

Reference yield: 47.6%

1,5-dibromo-pentane (111-24-0) + sodium phenoxide (139-02-6) → (5-bromopentoxy)benzene (22921-72-8)

Guidance literature:

In ethanol; at 65 - 80 ℃; for 48h;

DOI:10.1007/s00044-012-0090-2

upstream raw materials:

1,5-dibromo-pentane

sodium phenoxide

5-phenoxy-1-pentanol

phenol

Downstream raw materials:

6-phenoxyhexanenitrile

(5-iodo-pentyl)-phenyl ether

6-phenoxyhexanoic acid

(pentyloxy)benzene

Refernces

• 1、 Kim, Minseok,Shin, Sanghoon,Koo, Yejin,Jung, Sungwoo,Hong, Sungwoo. "Regiodivergent Conversion of Alkenes to Branched or Linear Alkylpyridines". supporting information. p. 708 - 713. Retrieved 2022/01/20.
• 2、 Yin, Wei,Lan, Li,Huang, Zhangjian,Ji, Jing,Fang, Jiangen,Wang, Xiaoli,Ji, Hui,Peng, Sixun,Xu, Jinyi,Zhang, Yihua. "Discovery of a ring-opened derivative of 3-n-butylphthalide bearing NO/H2S-donating moieties as a potential anti-ischemic stroke agent". . p. 369 - 380. Retrieved 2016/04/06.