Ethyl 2-bromohexanoate

Base Information

• Chemical Name: Ethyl 2-bromohexanoate
• CAS No.: 615-96-3
• Deprecated CAS: 63034-18-4,63927-44-6
• Molecular Formula: C8H15BrO2
• Molecular Weight: 223.11
• Hs Code.: 29159000
• European Community (EC) Number: 210-455-9
• NSC Number: 8879
• UNII: 3Y8V12H8PL
• DSSTox Substance ID: DTXSID30883242
• Nikkaji Number: J49.408I
• Wikidata: Q27258210
• Mol file: 615-96-3.mol

Synonyms:Ethyl 2-bromohexanoate;615-96-3;Ethyl 2-bromocaproate;Hexanoic acid, 2-bromo-, ethyl ester;Ethyl alpha-bromocaproate;2-Bromohexanoic acid ethyl ester;Ethyl 2-bromocapronate;Ethyl .alpha.-bromocaproate;alpha-Bromocaproic acid, ethyl ester;.alpha.-Bromocaproic acid, ethyl ester;UNII-3Y8V12H8PL;3Y8V12H8PL;NSC 8879;NSC-8879;EINECS 210-455-9;ethyl bromohexanoate;ethyl 2-bromo,hexanoate;2-Bromohexanoic acid ethyl;WLN: 4YEVO2;SCHEMBL729131;Ethyl 2-bromohexanoate, 99%;KOUAQOCYMAENKN-UHFFFAOYSA-;DL-ETHYL 2-BROMOHEXANOATE;DTXSID30883242;NSC8879;alpha-bromocaproic acid ethyl ester;MFCD00000162;AKOS015833852;ETHYL 2-BROMOHEXANOATE, (+/-)-;FT-0625936;D95689;W-105124;.ALPHA.-BROMO-N-CAPROIC ACID ETHYL ESTER [MI];Q27258210

Chemical Property of Ethyl 2-bromohexanoate

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 0.225mmHg at 25°C
• Melting Point: 29oC
• Refractive Index: n20/D 1.45(lit.)
• Boiling Point: 207.5 °C at 760 mmHg
• Flash Point: 91.4 °C
• PSA: 26.30000
• Density: 1.256 g/cm³
• LogP: 2.50320
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 222.02554
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-Bromohexanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: C,Xi
• Statements: 22-34-36/37/38
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC(C(=O)OCC)Br
• Uses: Ethyl 2-bromohexanoate has been used in the preparation of:ethyl 2,2-dibromohexanoate2-mercaptohexanoic acid derivativeschloroquinoxaline N-oxide

Technology Process of Ethyl 2-bromohexanoate

There total 9 articles about Ethyl 2-bromohexanoate 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:

2-bromohexanoyl bromide (54971-26-5,38532-59-1) + ethanol (64-17-5) → Ethyl 2-bromohexanoate (615-96-3)

Guidance literature:

With pyridine; In chloroform; at 0 ℃; for 1h;

DOI:10.1016/j.bcp.2004.09.021

Reference yield:

→ Ethyl 2-bromohexanoate (615-96-3)

Guidance literature:

With tetrachloromethane; bromine;

DOI:10.1021/ja01177a049

Reference yield:

hexanoic acid (142-62-1) → Ethyl 2-bromohexanoate (615-96-3)

Guidance literature:

With phosphorus; bromine; und Erwaermen des Reaktionsprodukts mit Aethanol;

upstream raw materials:

Hexanoyl chloride

hexanoic acid

diazoacetic acid ethyl ester

tributyl borane

Downstream raw materials:

2-(3,5-Di-tert-butyl-4-hydroxyphenyl)hexansaeureethylester

2-(3,5-Di-t-butyl-4-hydroxyphenoxy)hexansaeure-ethylester

dronedarone

2-n-butyl-3-{4-[3-(di-n-butylamino)-propoxyl]-benzoyl}-5-bromo-benzofuran

Refernces

• 1、 Szabolcs,Kruppa,Sagi,Otvos. "Unnatural nucleosides and nucleotides. III. Preparation of 2-14C and 4-14C labelled 5-alkyluracils and 5-alkyl-2'-deoxyuridines". . p. 713 - 726. Retrieved 2007/10/08.