4-Bromobutyl acetate

Base Information

• Chemical Name: 4-Bromobutyl acetate
• CAS No.: 4753-59-7
• Molecular Formula: C6H11 Br O2
• Molecular Weight: 195.056
• Hs Code.: 29153900
• European Community (EC) Number: 225-277-7
• NSC Number: 33919
• DSSTox Substance ID: DTXSID50884110
• Nikkaji Number: J262.433H
• Wikidata: Q72452187
• Mol file: 4753-59-7.mol

Synonyms:4-Bromobutyl acetate;4753-59-7;4-bromobutylacetate;4-Bromo-n-butyl acetate;1-Butanol, 4-bromo-, acetate;acetic acid 4-bromobutyl ester;acetic acid 4-bromo-butyl ester;1-Butanol, 4-bromo-, 1-acetate;MFCD00000263;4-Bromo-1-butyl Acetate;EINECS 225-277-7;NSC 33919;4-bromo-1-acetoxybutane;bromobutyl acetate;4-acetoxy-butylbromide;4-acetoxybutyl bromide;4-bromo-1acetoxybutane;4-bromo-1-butanol acetate;4-Bromobutyl acetate, 98%;SCHEMBL295806;DTXSID50884110;NSC33919;BBL100642;NSC-33919;STL554436;AKOS016015214;AS-57328;SY048653;B4958;CS-0188332;FT-0617876;FT-0617877;EN300-82770;F16811;A914753

Chemical Property of 4-Bromobutyl acetate

Chemical Property:

• Appearance/Colour: clear colourless to slightly yellow liquid
• Vapor Pressure: 0.184mmHg at 25°C
• Refractive Index: n20/D 1.46(lit.)
• Boiling Point: 92-93 ºC (12 mmHg)
• Flash Point: 109 ºC
• PSA: 26.30000
• Density: 1.348
• LogP: 1.72460
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Methanol
• Water Solubility.: Insoluble
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 193.99424
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

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

4-Bromo-1-butylAcetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCCCBr
• Uses: 4-Bromobutyl acetate was used in the synthesis of 9-alkylguanine derivative.

Technology Process of 4-Bromobutyl acetate

There total 20 articles about 4-Bromobutyl 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: 96.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + Acetyl bromide (506-96-7) → 4-Bromobutyl acetate (4753-59-7)

Guidance literature:

at 0 ℃;

Reference yield: 93.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + acetic acid (64-19-7,77671-22-8) → 4-Bromobutyl acetate (4753-59-7)

Guidance literature:

With hydrogen bromide; In tetrahydrofuran; at 10 ℃; for 4h; Temperature; Time;

Reference yield: 92.0%

4-acetoxy-1-butanol (35435-68-8) → 4-Bromobutyl acetate (4753-59-7)

Guidance literature:

With tetrabutylammomium bromide; (chloro-phenylthio-methylene)dimethylammonium chloride; In dichloromethane; at 20 ℃;

DOI:10.1016/S0040-4039(00)00940-0

upstream raw materials:

tetrahydrofuran

Acetyl bromide

acetic acid

1,4-dibromo-butane

Downstream raw materials:

4-(1-hydroxypropyl)morpholine

4-hexahydroazepin-1-yl-butan-1-ol

2-(4-acetoxybutyl)cyclohexanone

4-hydroxybutyl phenyl sulfone

Refernces

• 1、 Zhou, Jianjun,Xiao, Yan,Chen, Taiping,Gao, Jiyu,Huang, Wencai,Li, Zicheng. "Synthesis of hydroxy-α-sanshool". . p. 310 - 314. Retrieved 2021.
• 2、 -. "METHOD FOR PREPARING 4-ISOPROPYLAMINO-1-BUTANOL". Paragraph 0039; 0040; 0041; 0042; 0043; 0044; 0045-0050. . Retrieved 2018/02/28.