5-Bromopentyl acetate

Base Information

• Chemical Name: 5-Bromopentyl acetate
• CAS No.: 15848-22-3
• Molecular Formula: C7H13BrO2
• Molecular Weight: 209.083
• Hs Code.: 29153900
• European Community (EC) Number: 239-961-8
• DSSTox Substance ID: DTXSID80166431
• Nikkaji Number: J219.858D
• Wikidata: Q72448968
• Mol file: 15848-22-3.mol

Synonyms:5-Bromopentyl acetate;15848-22-3;5-Bromoamyl acetate;5-Bromo-n-amyl acetate;1-Pentanol, 5-bromo-, 1-acetate;1-Acetoxy-5-bromopentane;EINECS 239-961-8;MFCD00039204;Acetic Acid 5-Bromopentyl Ester;5-?Bromopentyl Acetate;5-bromo-1-pentanyl acetate;5-Bromopentyl acetate, 96%;Acetic Acid 5-Bromoamyl Ester;SCHEMBL1005318;DTXSID80166431;AKOS015916745;AS-60470;SY048649;A1195;CS-0006787;FT-0620171;D70120;EN300-7398011;A883426;J-009507;Acetic acid 5-bromopentyl ester~5-Bromoamyl acetate;5-Bromopentyl Acetate

Chemical Property of 5-Bromopentyl acetate

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.0929mmHg at 25°C
• Refractive Index: n20/D 1.462(lit.)
• Boiling Point: 224.1 °C at 760 mmHg
• Flash Point: 111.3 °C
• PSA: 26.30000
• Density: 1.3 g/cm³
• LogP: 2.11470
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 208.00989
• Heavy Atom Count: 10
• Complexity: 93.6

Purity/Quality:

99.0% ^*data from raw suppliers

5-Bromopentyl Acetate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)OCCCCCBr
• Uses: 5-?Bromopentyl Acetate is used to model the toxicity of haloesters on marine bacterium such as Vibrio fischeri. It is used to produce 5-Bromo-pentan-1-ol, a raw material for chemical synthesis.

Technology Process of 5-Bromopentyl acetate

There total 8 articles about 5-Bromopentyl acetate 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%

5-bromopentan-1-ol (34626-51-2) + acetic anhydride (108-24-7) → 5-bromo-1-pentanyl acetate (15848-22-3)

Guidance literature:

With dmap; sodium carbonate; In toluene; for 1h; Cooling with ice;

Reference yield: 93.0%

1,5-dibromo-pentane (111-24-0) + sodium acetate (127-09-3) → 5-bromo-1-pentanyl acetate (15848-22-3)

Guidance literature:

With 1,3-dimethylimidazolinium methanesulfonate; at 90 ℃; for 2h;

DOI:10.1016/S0040-4039(03)00179-5

Reference yield: 92.0%

TETRAHYDROPYRANE (142-68-7) + Acetyl bromide (506-96-7) → 5-bromo-1-pentanyl acetate (15848-22-3)

Guidance literature:

With zinc dibromide; for 2.5h; Heating;

DOI:10.1016/S0040-4020(01)88308-3

upstream raw materials:

TETRAHYDROPYRANE

Acetyl bromide

acetic anhydride

1,5-dibromo-pentane

Downstream raw materials:

5-[4-(2-methylsulfanyl-phenyl)-piperazino]-pentan-1-ol

5-(N-phenylamino)-1-pentyl acetate

Essigsaeure-(5-phenylpentyl)ester

9-(5-acetoxypentyl)-2-(N-formyl-N-phenylamino)-6-chloropurine

Refernces

• 1、 Goldsmith,D.J. et al.. "-". . p. 3571 - 3574. Retrieved 1975.
• 2、 Antien, Kevin,Cossío, Fernando P.,Deffieux, Denis,Lacambra, Aitor,Massip, Stéphane,Peixoto, Philippe A.,Pouységu, Laurent,Quideau, Stéphane. "Bio-inspired Total Synthesis of Twelve Securinega Alkaloids: Structural Reassignments of (+)-Virosine B and (?)-Episecurinol A". supporting information. . Retrieved 2019/08/21.
• 3、 -. "FLUOROALKYLATING AGENT". Paragraph 1495-1496. . Retrieved 2018/01/11.