tert-Butyl 2-bromobutanoate

Base Information

• Chemical Name: tert-Butyl 2-bromobutanoate
• CAS No.: 24457-21-4
• Molecular Formula: C8H15BrO2
• Molecular Weight: 223.11
• Hs Code.: 2915900090
• European Community (EC) Number: 679-138-4
• DSSTox Substance ID: DTXSID40519803
• Nikkaji Number: J1.236.652C
• Mol file: 24457-21-4.mol

Synonyms:tert-Butyl 2-bromobutanoate;24457-21-4;tert-Butyl 2-Bromobutyrate;tert-butyl2-bromobutanoate;t-butyl 2-bromobutyrate;2-Bromobutyric acid tert-butyl ester;MFCD00209634;Butanoic acid, 2-bromo-, 1,1-dimethylethyl ester;tertbutyl 2-bromobutyrate;tert-butyl-2-bromobutyrat;tert-butyl-2-bromobutyrate;SCHEMBL217805;DTXSID40519803;RIUJWUWLGXBICR-UHFFFAOYSA-N;ZAA45721;2-bromobutanoic acid tert-butyl ester;AKOS009158070;CS-W009505;AS-19258;SY009522;AM20120616;D94782;EN300-176085;A817315;J-802291

Chemical Property of tert-Butyl 2-bromobutanoate

Chemical Property:

• Vapor Pressure: 0.614mmHg at 25°C
• Refractive Index: 1.4410
• Boiling Point: 187.947 °C at 760 mmHg
• Flash Point: 75.191 °C
• PSA: 26.30000
• Density: 1.256g/cm³
• LogP: 2.50160
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 222.02554
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

98% ^*data from raw suppliers

TERT-BUTYL2-BROMOBUTYRATE ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)OC(C)(C)C)Br

Technology Process of tert-Butyl 2-bromobutanoate

There total 5 articles about tert-Butyl 2-bromobutanoate 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-Bromobutyric acid (80-58-0) → tert-butyl 2-bromobutyrate (102152-36-3,102152-37-4,24457-21-4)

Guidance literature:

Reference yield:

2-Bromobutyric acid (80-58-0) + isobutene (115-11-7,15220-85-6) → tert-butyl 2-bromobutyrate (102152-36-3,102152-37-4,24457-21-4)

Guidance literature:

With sulfuric acid; In tetrahydrofuran; dichloromethane;

DOI:10.1139/v74-385

Reference yield:

acetic acid tert-butyl ester (540-88-5) + 2-Bromobutyric acid (80-58-0) → tert-butyl 2-bromobutyrate (102152-36-3,102152-37-4,24457-21-4)

Guidance literature:

With perchloric acid; at 25 ℃; for 12h; Inert atmosphere;

DOI:10.1021/jacs.9b07297

upstream raw materials:

tert-butyl acetoacetate

ethyl iodide

2-Bromobutyric acid

isobutene

Downstream raw materials:

C₂₅H₂₉Cl₂NO₃

C₂₅H₂₉Cl₂NO₃

(S)-tert-butyl 2-((3S,5R,6S)-3-allyl-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-1-yl)butanoate

2-((3R,5R,6S)-1-((S)-1-(tert-butoxy)-1-oxo-butan-2-yl)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl)acetic acid

Refernces

• 1、 -. "Cephalosporin compounds". . . Retrieved 2008/06/13.