Cas no 70671-46-4 ((2S)-2-Bromo-3-hydroxypropanoic acid)

(2S)-2-Bromo-3-hydroxypropanoic acid is a chiral organic compound featuring both bromine and hydroxyl functional groups on a propanoic acid backbone. Its stereospecific (S)-configuration makes it valuable in asymmetric synthesis and pharmaceutical intermediates, particularly for the preparation of β-hydroxy acids and other bioactive molecules. The presence of reactive bromine enables nucleophilic substitution, while the hydroxyl group allows for further derivatization. This compound is commonly used in medicinal chemistry research for developing enzyme inhibitors or prodrugs. Its high purity and defined stereochemistry ensure reproducibility in synthetic applications. Proper handling is advised due to its potential reactivity.
(2S)-2-Bromo-3-hydroxypropanoic acid structure
70671-46-4 structure
Product Name:(2S)-2-Bromo-3-hydroxypropanoic acid
CAS No:70671-46-4
MF:C3H5BrO3
MW:168.974000692368
MDL:MFCD09751078
CID:975476
PubChem ID:13776210
Update Time:2025-06-15

(2S)-2-Bromo-3-hydroxypropanoic acid Chemical and Physical Properties

Names and Identifiers

    • (S)-(-)-2-Bromo-3-hydroxypropanoicacid
    • (2S)-2-bromo-3-hydroxypropanoic acid
    • (2S)-2-bromanyl-3-oxidanyl-propanoic acid
    • (2S)-2-bromo-3-hydroxypropionic acid
    • (S)-2-bromo 3-hydroxy propionic acid
    • (S)-2-bromo-3-hydroxypropanoic acid
    • 2-(S)-bromo-3-hydroxypropionic acid
    • acide (S)-(-)-bromo-2 hydroxy-3 propionique
    • A836956
    • MFCD09751078
    • AKOS006329440
    • CS-0099808
    • EN300-1084754
    • 70671-46-4
    • (2S)-2-Bromo-3-hydroxy-propanoic acid
    • OIODSHQRJGRDLE-REOHCLBHSA-N
    • AB10178
    • SCHEMBL526251
    • DTXSID50549090
    • (S)-(-)-2-BROMO-3-HYDROXYPROPANOIC ACID
    • Propanoic acid, 2-bromo-3-hydroxy-, (2S)-
    • (2S)-2-Bromo-3-hydroxypropanoic acid
    • MDL: MFCD09751078
    • Inchi: 1S/C3H5BrO3/c4-2(1-5)3(6)7/h2,5H,1H2,(H,6,7)/t2-/m0/s1
    • InChI Key: OIODSHQRJGRDLE-REOHCLBHSA-N
    • SMILES: Br[C@H](C(=O)O)CO

Computed Properties

  • Exact Mass: 167.94200
  • Monoisotopic Mass: 167.94221g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 72.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Density: 2.017
  • PSA: 57.53000
  • LogP: -0.17320

(2S)-2-Bromo-3-hydroxypropanoic acid Customs Data

  • HS CODE:2918199090
  • Customs Data:

    China Customs Code:

    2918199090

    Overview:

    HS: 2918199090. Other alcohol containing but not other oxy carboxylic acids(Including its anhydride\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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(2S)-2-Bromo-3-hydroxypropanoic acid Suppliers

Amadis Chemical Company Limited
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(CAS:70671-46-4)(2S)-2-Bromo-3-hydroxypropanoic acid
Order Number:A836956
Stock Status:in Stock
Quantity:250mg/1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:38
Price ($):232.0/623.0

Additional information on (2S)-2-Bromo-3-hydroxypropanoic acid

Comprehensive Overview of (2S)-2-Bromo-3-hydroxypropanoic acid (CAS No. 70671-46-4)

(2S)-2-Bromo-3-hydroxypropanoic acid (CAS No. 70671-46-4) is a chiral organic compound that has garnered significant attention in the fields of pharmaceutical synthesis, biochemical research, and asymmetric catalysis. This compound, characterized by its bromine substituent and hydroxyl group, serves as a versatile intermediate in the synthesis of complex molecules. Its unique stereochemistry at the 2-position makes it particularly valuable for constructing enantiomerically pure compounds, a critical requirement in modern drug development.

The growing demand for chiral building blocks like (2S)-2-Bromo-3-hydroxypropanoic acid is driven by the pharmaceutical industry's focus on precision medicine and targeted therapies. Researchers frequently search for "chiral synthesis techniques" or "how to optimize enantioselective reactions," highlighting the compound's relevance. Its application extends to the production of beta-hydroxy acids, which are pivotal in designing bioactive molecules and natural product analogs.

From a structural perspective, the presence of both electrophilic (bromine) and nucleophilic (hydroxyl) functional groups in (2S)-2-Bromo-3-hydroxypropanoic acid enables diverse chemical transformations. This duality allows chemists to explore "C-C bond formation strategies" or "stereocontrol in organic synthesis," topics frequently queried in academic and industrial settings. The compound's water solubility and stability under mild conditions further enhance its utility in green chemistry applications.

Recent advancements in enzymatic resolution and dynamic kinetic resolution have spotlighted (2S)-2-Bromo-3-hydroxypropanoic acid as a substrate for biocatalysts. Questions like "how to improve yield in chiral resolutions" or "enzyme engineering for asymmetric synthesis" reflect the compound's role in cutting-edge research. Its compatibility with metal-free catalysis also aligns with the global shift toward sustainable chemical processes.

In analytical chemistry, (2S)-2-Bromo-3-hydroxypropanoic acid is often used as a reference standard for HPLC and NMR method development. Searches for "chiral purity analysis" or "validating stereochemical integrity" underscore its importance in quality control. The compound's distinct spectroscopic signatures facilitate accurate characterization, making it indispensable for laboratories focusing on high-throughput screening.

The commercial availability of (2S)-2-Bromo-3-hydroxypropanoic acid (CAS No. 70671-46-4) through specialized chemical suppliers has expanded its accessibility. However, researchers often inquire about "scalable synthesis routes" or "cost-effective alternatives," indicating a need for optimized production protocols. Innovations in continuous flow chemistry and microwave-assisted synthesis may address these challenges, further solidifying the compound's industrial relevance.

Beyond synthetic applications, (2S)-2-Bromo-3-hydroxypropanoic acid has emerged as a tool for studying enzyme mechanisms, particularly those involving halogenases and hydroxylases. Queries such as "role of halogens in biocatalysis" or "designing enzyme mimics" demonstrate its interdisciplinary appeal. The compound's ability to act as a mechanistic probe underscores its value in structural biology and computational modeling.

In summary, (2S)-2-Bromo-3-hydroxypropanoic acid (CAS No. 70671-46-4) exemplifies the convergence of chiral chemistry, sustainable synthesis, and biomolecular research. Its multifaceted applications—from drug discovery to green catalysis—make it a cornerstone of modern organic chemistry. As the scientific community continues to explore "novel chiral auxiliaries" and "eco-friendly reaction media," this compound will undoubtedly remain at the forefront of innovation.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:70671-46-4)(2S)-2-Bromo-3-hydroxypropanoic acid
A836956
Purity:99%/99%
Quantity:250mg/1g
Price ($):232.0/623.0
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