Propyl bromoacetate

Base Information

• Chemical Name: Propyl bromoacetate
• CAS No.: 35223-80-4
• Molecular Formula: C5H9BrO2
• Molecular Weight: 181.029
• Hs Code.: 2915900090
• European Community (EC) Number: 679-467-3
• DSSTox Substance ID: DTXSID80188719
• Nikkaji Number: J191.426J
• Wikidata: Q72502669
• Mol file: 35223-80-4.mol

Synonyms:Propyl bromoacetate;propyl 2-bromoacetate;35223-80-4;N-Propyl Bromoacetate;Acetic acid, bromo-, propyl ester;Bromoacetic acid propyl ester;SCHEMBL140522;bromo-acetic acid propyl ester;Bromoacetic acid n-propyl ester;DTXSID80188719;MFCD00075247;AKOS005207233;AS-57618;FT-0732024

Chemical Property of Propyl bromoacetate

Chemical Property:

• Appearance/Colour: Colorless liquid.
• Vapor Pressure: 1.05mmHg at 25°C
• Melting Point: 155-157 °C(Solv: water (7732-18-5))
• Refractive Index: 1.45-1.452
• Boiling Point: 177.3 °C at 760 mmHg
• Flash Point: 82.2 °C
• PSA: 26.30000
• Density: 1.417 g/cm³
• LogP: 1.33450
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 179.97859
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

99.90% ^*data from raw suppliers

PropylBromoacetate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)CBr

Technology Process of Propyl bromoacetate

There total 3 articles about Propyl bromoacetate 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: 100.0%

propan-1-ol (71-23-8) + 2-Bromoacetyl bromide (598-21-0) → n-propyl bromoacetate (35223-80-4)

Guidance literature:

With potassium carbonate; In dichloromethane; water; at 5 - 20 ℃; for 12.5h;

DOI:10.1039/c3cc43751e

Reference yield: 79.0%

→ n-propyl bromoacetate (35223-80-4)

Guidance literature:

Reference yield:

propan-1-ol (71-23-8) + bromoacetic acid (79-08-3) → n-propyl bromoacetate (35223-80-4)

Guidance literature:

With sulfuric acid; ohne Loesungsmittel;

upstream raw materials:

propan-1-ol

bromoacetic acid

2-Bromoacetyl bromide

Downstream raw materials:

N,N,N',N'-tetramethyl-N,N'-bis-propoxycarbonylmethyl-N,N'-(3,14-dioxa-hexadecanediyl)-di-ammonium; dibromide

1,3-dithiolane-2-thione

(Propyloxycarbonylmethylene)triphenylphosphorane

Refernces

• 1、 Carminati, Daniela Maria,Intrieri, Daniela,Caselli, Alessandro,Le Gac, Stéphane,Boitrel, Bernard,Toma, Lucio,Legnani, Laura,Gallo, Emma. "Designing ‘Totem’ C2-Symmetrical Iron Porphyrin Catalysts for Stereoselective Cyclopropanations". supporting information. p. 13599 - 13612. Retrieved 2016/09/13.
• 2、 Vojtko, Jan,Tomcik, Peter. "A method for esterification reaction rate prediction of aliphatic monocarboxylic acids with primary alcohols in 1,4-dioxane based on two parametrical taft equation". . p. 189 - 196. Retrieved 2014/02/14.