Isopropyl 2-bromo-2-methylpropanoate

Base Information

• Chemical Name: Isopropyl 2-bromo-2-methylpropanoate
• CAS No.: 51368-55-9
• Molecular Formula: C7H13BrO2
• Molecular Weight: 209.083
• Hs Code.: 2915900090
• European Community (EC) Number: 257-158-0
• DSSTox Substance ID: DTXSID80199380
• Nikkaji Number: J261.700E
• Wikidata: Q72485793
• Mol file: 51368-55-9.mol

Synonyms:51368-55-9;ISOPROPYL 2-BROMO-2-METHYLPROPANOATE;Isopropyl 2-bromo-2-methylpropionate;2-Bromo-2-methylpropionic acid isopropyl ester;Propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester;propan-2-yl 2-bromo-2-methylpropanoate;isopropyl 2-bromoisobutyrate;EINECS 257-158-0;EC 257-158-0;isopropyl 2-bromo-2-methyl-propanoate;SCHEMBL454299;DTXSID80199380;2-Bromoisobutyricacidisopropylester;UNZJYKKJZGIFCG-UHFFFAOYSA-N;MFCD00055235;AKOS015918184;AM90216;ISOPROPYL2-BROMO-2-METHYLPROPANOATE;CS-0187445;FT-0611572;I0920;F20342;2-bromo-2-methylpropanoic acid propan-2-yl ester;A828559;W-105900;2-BROMO-2-METHYLPROPANOIC ACID ISOPROPYL ESTER

Chemical Property of Isopropyl 2-bromo-2-methylpropanoate

Chemical Property:

• Appearance/Colour: Clear colourless to slightly yellow liquid
• Vapor Pressure: 1.49mmHg at 25°C
• Refractive Index: 1.457
• Boiling Point: 170.2 °C at 760 mmHg
• Flash Point: 63.3 °C
• PSA: 26.30000
• Density: 1.297 g/cm³
• LogP: 2.11150
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 208.00989
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

Isopropyl2-Bromo-2-methylpropanoate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C(C)(C)Br
• Uses: Isopropyl 2-Bromo-2-methylpropanoate is used in preparation of compounds used in the in the preparation of Elafibranor and its pharmaceutical acceptable salts.

Technology Process of Isopropyl 2-bromo-2-methylpropanoate

There total 5 articles about Isopropyl 2-bromo-2-methylpropanoate 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: 84.0%

2-bromoisobutyric acid bromide (20769-85-1) + isopropyl alcohol (67-63-0,8013-70-5) → isopropyl 2-bromo-2?methylpropanoate (51368-55-9)

Guidance literature:

With pyridine; at 20 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.organomet.6b00600

Reference yield:

dibromoacetonitrile (3252-43-5) + isopropyl alcohol (67-63-0,8013-70-5) + acetone (67-64-1) → isopropyl 2-bromo-2?methylpropanoate (51368-55-9)

Guidance literature:

With potassium isopropoxide; In diethyl ether; at -78 ℃;

Reference yield:

2-bromo-2-methylpropionic acid (2052-01-9) + isopropyl alcohol (67-63-0,8013-70-5) → isopropyl 2-bromo-2?methylpropanoate (51368-55-9)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

2-bromo-2-methylpropionic acid

isopropyl alcohol

2-bromo-2-methylpropionyl chloride

2-bromoisobutyric acid bromide

Downstream raw materials:

isopropyl 2-(4-(2-(4-chlorobenzamido)ethyl)phenoxy)-2-methylpropanoate

isopropyl 2-(4-iodophenoxy)-2-methylpropanoate

fenofibrate

acetophenone

Refernces

• 1、 ?koch, Karel,Císa?ová, Ivana,?těpni?ka, Petr. "Synthesis of a polar phosphinoferrocene amidosulfonate ligand and its application in pd-catalyzed cross-coupling reactions of aromatic boronic acids and acyl chlorides in an aqueous medium". supporting information. p. 3378 - 3387. Retrieved 2016/10/21.