3-Bromopropionic acid

Base Information

• Chemical Name: 3-Bromopropionic acid
• CAS No.: 590-92-1
• Molecular Formula: C3H5BrO2
• Molecular Weight: 152.975
• Hs Code.: 2915.90
• European Community (EC) Number: 209-694-1
• NSC Number: 2638
• UNII: WFZ7CSR69R
• DSSTox Substance ID: DTXSID9060443
• Nikkaji Number: J2.686G
• Wikidata: Q22133309
• ChEMBL ID: CHEMBL4569339
• Mol file: 590-92-1.mol

Synonyms:3-bromopropionic acid;beta-bromopropionate

Chemical Property of 3-Bromopropionic acid

Chemical Property:

• Appearance/Colour: white to pale yellow or orange crystal
• Vapor Pressure: 0.0134mmHg at 25°C
• Melting Point: 57-63 °C
• Refractive Index: 1.4753 (estimate)
• Boiling Point: 239.5 °C at 760 mmHg
• PKA: 4.00(at 25℃)
• Flash Point: 98.7 °C
• PSA: 37.30000
• Density: 1.781 g/cm³
• LogP: 0.85600
• Storage Temp.: 2-8°C
• Solubility.: H2O: 0.1?g/mL, clear
• Water Solubility.: 0.1 g/mL
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.94729
• Heavy Atom Count: 6
• Complexity: 52.8

Purity/Quality:

99% ^*data from raw suppliers

3-Bromopropionic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F:Flammable;;
• Statements: R11:; R34:
• Safety Statements: S26:; S36/37/39:; S45:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C(CBr)C(=O)O
• Uses: 3-Bromopropionic acid used as quaternization agent in amperometric biosensors.

Technology Process of 3-Bromopropionic acid

There total 33 articles about 3-Bromopropionic acid 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: 95.0%

bromopropionitrile (2417-90-5) → 3-Bromopropionic acid (590-92-1)

Guidance literature:

With benzene-1,2-dicarboxylic acid; for 0.75h; microwave irradiation;

Reference yield: 89.0%

tert-butyl 3-bromopropionate (55666-43-8) → 3-Bromopropionic acid (590-92-1)

Guidance literature:

With KSF clay; In acetonitrile; for 4h; Heating;

DOI:10.1055/s-2002-25335

Reference yield: 82.0%

3-Hydroxypropionitrile (109-78-4) → 3-Bromopropionic acid (590-92-1)

Guidance literature:

With hydrogen bromide; In water; for 4h; Reflux;

DOI:10.1002/jlcr.1602

upstream raw materials:

β-Propiolactone

3-iodopropanoic acid

bromopropionitrile

3-bromopropanal

Downstream raw materials:

3,4-dihydro-pyrido[1,2-a]pyrimidin-2-one

Methyl 3-bromopropionate

3-(4-allyl-2-methoxy-phenoxy)-propionic acid

β-(4-methoxyphenylmercapto)propionic acid

Refernces

• 1、 -. "METHODS OF MAKING ACRYLIC ACID FROM LACTIC ACID OR ITS DERIVATIVES IN LIQUID PHASE". Page/Page column 67. . Retrieved 2018/02/28.
• 2、 -. "Preparation method of alkane brominated material". Paragraph 0067-0068. . Retrieved 2018/09/08.