Ethyl 2-bromovalerate

Base Information

• Chemical Name: Ethyl 2-bromovalerate
• CAS No.: 615-83-8
• Molecular Formula: C7H13BrO2
• Molecular Weight: 209.083
• Hs Code.: 29159080
• European Community (EC) Number: 210-450-1
• NSC Number: 8865
• DSSTox Substance ID: DTXSID40275770,DTXSID10862292
• Nikkaji Number: J134.747K
• Mol file: 615-83-8.mol

Synonyms:Ethyl 2-bromovalerate;615-83-8;Ethyl 2-bromopentanoate;DL-Ethyl 2-Bromovalerate;2-Bromopentanoic acid ethyl ester;2-bromo-pentanoic acid ethyl ester;Ethyl .alpha.-bromovalerate;Pentanoic acid, 2-bromo-, ethyl ester;ETHYL-2-BROMOVALERATE;2-Bromovaleric Acid Ethyl Ester;EINECS 210-450-1;ethyl2-bromovalerate;112889-44-8;ethyl bromovalerate;ethyl-2bromovalerate;MFCD00000159;ethyl-2-bromopentanoate;Ethyl alpha-bromovalerate;ethyl-(2-bromovalerate);rac-ethyl 2-bromovalerate;Ethanol, 2-bromopentanoate;Ethyl 2-bromopentanoate #;Ethyl 2-bromovalerate, 99%;SCHEMBL304907;DTXSID10862292;DTXSID40275770;NSC8865;NSC 8865;NSC-8865;AKOS016008686;CS-W015179;AS-17274;E0970;FT-0625458;EN300-123724;H11305;J-802202;W-105126

Chemical Property of Ethyl 2-bromovalerate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.526mmHg at 25°C
• Refractive Index: n20/D 1.448(lit.)
• Boiling Point: 191 °C at 760 mmHg
• Flash Point: 80.6 °C
• PSA: 26.30000
• Density: 1.297 g/cm³
• LogP: 2.11310
• Storage Temp.: Store below +30°C.
• Water Solubility.: insoluble
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 208.00989
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 2-Bromovalerate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: C,Xi
• Statements: 34-36/37-36/37/38
• Safety Statements: 23-26-27-36/37/39-45-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(C(=O)OCC)Br

Technology Process of Ethyl 2-bromovalerate

There total 4 articles about Ethyl 2-bromovalerate 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: 29.0%

ethanol (64-17-5) + ((Z)-1-Chloro-pent-1-enylsulfanyl)-benzene (83818-64-8) → 2-bromo-pentanoic acid ethyl ester (615-83-8)

Guidance literature:

With bromine; at -45 ℃; for 2h;

Reference yield:

(E)-2-propyl-2-pentenoic acid (33786-47-9) → 2-bromo-pentanoic acid ethyl ester (615-83-8) + 2-propyl-2-pentenoic acid ethyl ester (63718-45-6)

Guidance literature:

In ethanol; water;

Reference yield:

ethanol (64-17-5) + valeric acid (109-52-4) → 2-bromo-pentanoic acid ethyl ester (615-83-8)

Guidance literature:

Multistep reaction; (i) SOCl₂, (ii) Br₂, I₂, (iii) /BRN= 1718733/;

DOI:10.1002/jlcr.2580140509

upstream raw materials:

ethanol

valeric acid

((Z)-1-Chloro-pent-1-enylsulfanyl)-benzene

(E)-2-propyl-2-pentenoic acid

Downstream raw materials:

ethyl ester of the 2-propyl-3-(p-isopropoxyphenyl)-2,3-epoxypropionic acid

3-Methyl-3-phenyl-2-propyl-bersteinsaeure-aethylester-⁽¹⁾-nitril-⁽⁴⁾

2-[2-({3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenylamino}-methyl)-phenoxy]-pentanoic acid ethyl ester

ethyl 2-phenylselanylpentanoate

Refernces

• 1、 Fortes, C. C.,Chaves, M. H.. "SOLVOLYSIS OF 1-CHLORO-1-ALKENYL PHENYL SULFIDES. SYNTHESIS OF α-BROMO PHENYL THIOCARBOXYLIC ESTERS, α-BROMO ALKYL CARBOXYLIC ESTERS AND α-PHENYLTHIO METHYL CARBOXYLIC ESTERS". . p. 751 - 762. Retrieved 2007/10/02.
• 2、 -. "Alkyl alkanoate derivatives of substituted piperazine-diones and polymer compositions stabilized thereby". . . Retrieved 2008/06/13.