T-BUTYL 3-BROMOPROPIONATE 97

Base Information

• Chemical Name: T-BUTYL 3-BROMOPROPIONATE 97
• CAS No.: 55666-43-8
• Molecular Formula: C7H13 Br O2
• Molecular Weight: 209.083
• Hs Code.: 2915900090
• European Community (EC) Number: 629-409-8
• NSC Number: 82471
• DSSTox Substance ID: DTXSID40292427
• Wikidata: Q82030724
• Mol file: 55666-43-8.mol

Synonyms:2-(tert-Butoxycarbonyl)ethylbromide; 3-Bromopropionic acid tert-butyl ester; NSC 82471; tert-Butyl3-bromopropanoate; tert-Butyl 3-bromopropionate

Chemical Property of T-BUTYL 3-BROMOPROPIONATE 97

Chemical Property:

• Vapor Pressure: 0.587mmHg at 25°C
• Refractive Index: n20/D 1.4470(lit.)
• Boiling Point: 188.8°Cat760mmHg
• Flash Point: 100.6°C
• PSA: 26.30000
• Density: 1.3g/cm³
• LogP: 2.11310
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 208.00989
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

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

tert-Butyl 3-bromopropionate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CCBr
• Uses: tert-Butyl 3-bromopropionate may be used to synthesize the following:tert-butyl-12-cholesteryloxi-4,7,10-trioxadodecanoate2-(tert-butoxycarbonyl)ethyl 2,3,4-tri-O-acetyl-1-thio-α-L-fucopyranoside

Technology Process of T-BUTYL 3-BROMOPROPIONATE 97

There total 5 articles about T-BUTYL 3-BROMOPROPIONATE 97 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: 70.0%

3-Bromopropionic acid (590-92-1) + isobutene (115-11-7,15220-85-6) → tert-butyl 3-bromopropionate (55666-43-8)

Guidance literature:

sulfuric acid; In diethyl ether;

Reference yield: 60.0%

→ tert-butyl 3-bromopropionate (55666-43-8)

Guidance literature:

Reference yield: 35.0%

3-Bromopropionic acid (590-92-1) + tert-butyl alcohol (75-65-0) → tert-butyl 3-bromopropionate (55666-43-8)

Guidance literature:

With sulfuric acid; magnesium sulfate; In dichloromethane; at 20 ℃; for 18h;

DOI:10.1039/b506702b

upstream raw materials:

3-Bromopropionic acid

isobutene

acetic acid tert-butyl ester

tert-butyl alcohol

Downstream raw materials:

3-Bromopropionic acid

C₁₈H₂₆N₂O₆

N-(2-tert-Butoxycarbonyl-ethyl)-N-(4-methoxy-phenyl)-malonamic acid methyl ester

N-(2-tert-Butoxycarbonyl-ethyl)-2-diazo-N-(4-methoxy-phenyl)-malonamic acid methyl ester

Refernces

• 1、 -. "PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR". Page/Page column 129. . Retrieved 2010/08/04.
• 2、 Flipo, Marian,Florent, Isabelle,Grellier, Philippe,Sergheraert, Christian,Deprez-Poulain, Rebecca. "Design, synthesis and antimalarial activity of novel, quinoline-based, zinc metallo-aminopeptidase inhibitors". . p. 2659 - 2662. Retrieved 2007/10/03.