Cas no 1036588-32-5 (4-Isopropoxy-3-methoxybenzyl chloride)

4-Isopropoxy-3-methoxybenzyl chloride structure
1036588-32-5 structure
Product Name:4-Isopropoxy-3-methoxybenzyl chloride
CAS No:1036588-32-5
MF:C11H15ClO2
MW:214.688602685928
CID:1097075
PubChem ID:14674278
Update Time:2025-10-29

4-Isopropoxy-3-methoxybenzyl chloride Chemical and Physical Properties

Names and Identifiers

    • 4-(Chloromethyl)-1-isopropoxy-2-methoxybenzene
    • 4-Isopropoxy-3-Methoxybenzyl chloride
    • 4-(Chloromethyl)-2-methoxy-1-(1-methylethoxy)benzene
    • DB-316628
    • 1036588-32-5
    • 4-(chloromethyl)-2-methoxy-1-propan-2-yloxybenzene
    • 4-Isopropoxy-3-methoxybenzyl chloride
    • MDL: MFCD11117590
    • Inchi: 1S/C11H15ClO2/c1-8(2)14-10-5-4-9(7-12)6-11(10)13-3/h4-6,8H,7H2,1-3H3
    • InChI Key: WFMQREQRKYROEM-UHFFFAOYSA-N
    • SMILES: ClCC1C=CC(=C(C=1)OC)OC(C)C

Computed Properties

  • Exact Mass: 214.0760574g/mol
  • Monoisotopic Mass: 214.0760574g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 161
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • Density: 1.081±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 288.2±25.0 oC (760 Torr),
  • Flash Point: 97.0±18.4 oC,
  • Solubility: Very slightly soluble (0.32 g/l) (25 o C),

4-Isopropoxy-3-methoxybenzyl chloride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Ambeed
A521193-1g
4-(Chloromethyl)-1-isopropoxy-2-methoxybenzene
1036588-32-5 95+%
1g
$242.0 2025-02-26

4-Isopropoxy-3-methoxybenzyl chloride Suppliers

Amadis Chemical Company Limited
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(CAS:1036588-32-5)4-Isopropoxy-3-methoxybenzyl chloride
Order Number:A856948
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:03
Price ($):218.0

Additional information on 4-Isopropoxy-3-methoxybenzyl chloride

Comprehensive Guide to 4-Isopropoxy-3-methoxybenzyl chloride (CAS No. 1036588-32-5): Properties, Applications, and Market Insights

4-Isopropoxy-3-methoxybenzyl chloride (CAS No. 1036588-32-5) is a specialized organic compound widely used in pharmaceutical and agrochemical research. This chlorinated derivative of benzyl alcohol features an isopropoxy and methoxy substitution pattern, making it a versatile intermediate for synthesizing bioactive molecules. With the growing demand for fine chemicals in drug discovery, this compound has gained attention for its unique reactivity and potential applications in medicinal chemistry.

The molecular structure of 4-Isopropoxy-3-methoxybenzyl chloride combines aromatic and aliphatic components, offering excellent solubility in common organic solvents like dichloromethane and ethyl acetate. Researchers value its stability under standard laboratory conditions (typically stored at 2-8°C) and its role in nucleophilic substitution reactions. Recent publications highlight its utility in creating chiral auxiliaries and ligands for catalysis, aligning with current trends in green chemistry and asymmetric synthesis.

In pharmaceutical applications, 1036588-32-5 serves as a key building block for G protein-coupled receptor (GPCR) modulators, a hot topic in drug development. The compound's benzyl chloride moiety enables efficient coupling with amines and alcohols, facilitating the creation of diverse molecular libraries for high-throughput screening. Industry reports indicate rising demand for such intermediates due to increased R&D investment in central nervous system (CNS) therapeutics and anti-inflammatory agents.

The agrochemical sector utilizes 4-Isopropoxy-3-methoxybenzyl chloride in developing novel crop protection agents. Its structural features contribute to the synthesis of compounds with improved pesticidal activity and environmental persistence, addressing global concerns about food security and sustainable agriculture. Manufacturers are optimizing production processes to meet stringent REACH compliance standards while maintaining cost-effectiveness.

Analytical characterization of 1036588-32-5 typically involves GC-MS, HPLC, and NMR spectroscopy. The compound shows characteristic peaks in 1H NMR (δ 7.2-7.4 ppm for aromatic protons) and 13C NMR (δ 45-50 ppm for the benzylic carbon), crucial for quality control in commercial batches. Advanced purification techniques like column chromatography ensure high purity (>98%) for sensitive applications.

Market analysis reveals steady growth for 4-Isopropoxy-3-methoxybenzyl chloride, particularly in Asia-Pacific regions where contract research organizations (CROs) are expanding. Suppliers are developing custom synthesis services and scale-up solutions to accommodate diverse research needs. The compound's patent landscape shows increasing activity, with several applications filed for derivatives in kinase inhibition and metabolic disease treatment.

Environmental and handling considerations for 1036588-32-5 follow standard laboratory protocols. While not classified as hazardous under normal use, proper personal protective equipment (PPE) including gloves and goggles is recommended. Disposal should comply with local regulations for halogenated organic compounds, reflecting the industry's focus on responsible chemical management.

Future research directions for 4-Isopropoxy-3-methoxybenzyl chloride include exploration in bioconjugation chemistry and prodrug development, areas gaining traction in targeted therapy. The compound's compatibility with click chemistry methodologies positions it well for emerging applications in chemical biology and diagnostic probe development.

For researchers sourcing 1036588-32-5, technical specifications should include certificate of analysis (CoA), stability data, and impurity profiles. Reputable suppliers provide MSDS documentation and technical support to ensure proper application in synthetic workflows. Current pricing trends reflect the compound's niche status, with bulk purchases offering cost advantages for large-scale projects.

The scientific literature contains numerous references to 4-Isopropoxy-3-methoxybenzyl chloride in synthetic protocols, particularly for constructing heterocyclic scaffolds and chiral centers. Recent studies demonstrate its utility in multi-step syntheses of complex molecules, contributing to the growing interest in fragment-based drug design approaches.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1036588-32-5)4-Isopropoxy-3-methoxybenzyl chloride
A856948
Purity:99%
Quantity:1g
Price ($):218.0
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