Cas no 167479-01-8 (1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid)

1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid is a specialized chemical intermediate primarily used in organic synthesis and pharmaceutical research. Its key structural features include a tert-butyl ester group and a 3-iodopropyl carbamate moiety, which enhance its utility in selective alkylation and cross-coupling reactions. The iodine substituent offers reactivity for further functionalization, making it valuable in the preparation of complex molecules. The tert-butyl ester provides stability under various reaction conditions while allowing for controlled deprotection when needed. This compound is particularly advantageous in peptide modification and prodrug development due to its balanced reactivity and protective group compatibility. It is typically handled under inert conditions to preserve its integrity.
1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid structure
167479-01-8 structure
Product Name:1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid
CAS No:167479-01-8
MF:C8H16INO2
MW:285.122614860535
MDL:MFCD09951819
CID:824990
PubChem ID:11231463
Update Time:2025-05-20

1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl (3-iodopropyl)carbamate
    • TERT-BUTYL 3-IODOPROPYLCARBAMATE
    • tert-butyl N-(3-iodopropyl)carbamate
    • 1-iodo-tert-butyl-2-aminopropylcarbamate
    • N-tert-butoxycarbonyl-3-iodopropylamine
    • Y7770
    • tert-Butyl (3-iodopropyl)
    • N-(3-Iodopropyl)carbamic acid tert-butyl ester
    • Carbamic Acid, N-(3-Iodopropyl)-, 1,1-Dimethylethyl Ester
    • tert-butyl3-iodopropylcarbamate
    • tert-butyl(3-iodopropyl)carbamate
    • ORVXNBKOWDNMGB-UHFFFAOYSA-N
    • tert-butyl N-(3-iodopropyl)-carbamate
    • RP06677
    • AB55266
    • AM803303
    • 1-(N-t-butyloxycarbo
    • EN300-4266718
    • SY040801
    • 1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid
    • CS-0046940
    • SCHEMBL2501870
    • (3-iodopropyl)-carbamic acid tert-butyl ester
    • 1,1-Dimethylethyl N-(3-iodopropyl)carbamate
    • 167479-01-8
    • MFCD09951819
    • DTXSID30459562
    • DS-15198
    • N-(3-Iodopropyl)-carbamic acid 1,1-dimethylethyl ester
    • AKOS022181128
    • 1,1-Dimethylethyl N-(3-iodopropyl)carbamate; 1,1-Dimethylethyl (3-Iodopropyl)carbamate; tert-Butyl (3-Iodopropyl)carbamate; tert-Butyl N-(3-Iodopropyl)carbamate
    • 1-(N-t-butyloxycarbonyl)amino-3-iodopropane
    • N-Boc-3-iodo-1-propylamine
    • ZB0903
    • BP-29680
    • J-524553
    • 3-(Boc-amino)-iodopropane
    • MDL： MFCD09951819
    • Inchi： 1S/C8H16INO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)
    • InChI Key： ORVXNBKOWDNMGB-UHFFFAOYSA-N
    • SMILES： ICCCNC(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 285.02300
  • Monoisotopic Mass: 285.02258g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 143
  • 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
  • Topological Polar Surface Area: 38.3
  • XLogP3: 2.4

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 299.3±23.0°C at 760 mmHg
  • Flash Point: 134.8±22.6 °C
  • PSA: 38.33000
  • LogP: 2.72710
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid Security Information

1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid Customs Data

  • HS CODE：2924199090
  • Customs Data：

    China Customs Code:

    2924199090

    Overview:

    2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid Pricemore >>

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1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid Production Method

1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid Related Literature

Additional information on 1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid

1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid (CAS 167479-01-8): A Comprehensive Overview

The 1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid (CAS 167479-01-8) is a specialized organic compound with significant applications in pharmaceutical and chemical research. This compound, often referred to as a carbamate derivative, is widely utilized in the synthesis of bioactive molecules due to its unique structural properties. The presence of an iodopropyl group and a tert-butyl ester moiety makes it a valuable intermediate in medicinal chemistry.

One of the key features of 1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid is its role in drug discovery. Researchers frequently employ this compound in the development of targeted therapies, particularly in the field of oncology and neurology. Its ability to act as a protecting group or a reactive intermediate enhances its utility in complex synthetic pathways. The CAS 167479-01-8 identifier ensures precise identification in global chemical databases, facilitating seamless collaboration among scientists.

In recent years, the demand for high-purity chemical intermediates like 1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid has surged, driven by advancements in precision medicine and bioconjugation techniques. This compound is particularly relevant in the context of antibody-drug conjugates (ADCs), a hot topic in pharmaceutical research. ADCs represent a cutting-edge approach to cancer treatment, and the iodopropyl group in this compound offers a strategic handle for conjugation.

From a chemical properties perspective, 1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid exhibits stability under standard laboratory conditions, making it suitable for various synthetic applications. Its solubility profile allows for use in both polar and non-polar solvents, providing flexibility in reaction design. The tert-butyl ester group is particularly advantageous due to its ease of removal under mild acidic conditions, a feature highly valued in peptide synthesis.

The market dynamics for CAS 167479-01-8 reflect its growing importance. With increasing investments in R&D by pharmaceutical companies, the demand for specialized intermediates like this compound is expected to rise. Additionally, the trend toward green chemistry has prompted innovations in the synthesis of 1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid, with a focus on reducing waste and improving yield.

For researchers and procurement specialists, understanding the storage and handling of 1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid is crucial. While the compound is not classified as hazardous under standard regulations, proper storage in a cool, dry environment is recommended to maintain its integrity. Suppliers often provide certificates of analysis (CoA) to ensure quality and traceability, a critical factor for compliance in GMP environments.

In conclusion, 1,1-Dimethylethyl Ester N-(3-Iodopropyl)carbamic Acid (CAS 167479-01-8) is a versatile and valuable compound in modern chemical and pharmaceutical research. Its applications span from drug development to bioconjugation, aligning with current trends in personalized medicine and sustainable chemistry. As the scientific community continues to explore its potential, this compound is poised to remain a key player in innovative research initiatives.

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