Cas no 247035-47-8 (TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE)

TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE is a specialized chemical compound featuring both a tert-butyl carbamate group and an isothiocyanate functionality. The isothiocyanate moiety enables selective conjugation with amines, making it valuable for bioconjugation and crosslinking applications in organic synthesis and biochemical research. The tert-butyl carbamate (Boc) group provides stability and selective deprotection under acidic conditions, offering controlled reactivity in multi-step syntheses. This compound is particularly useful in peptide modification and protein labeling due to its well-defined reactivity profile. Its structural design ensures efficient coupling while minimizing side reactions, making it a reliable reagent for researchers requiring precise functionalization.
TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE structure
247035-47-8 structure
Product Name:TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE
CAS No:247035-47-8
MF:C10H18N2O2S
MW:230.327121257782
MDL:MFCD01862958
CID:825384
PubChem ID:4412564
Update Time:2025-11-02

TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE Chemical and Physical Properties

Names and Identifiers

    • TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE
    • Boc-4-aminobutyl isothiocyanate
    • N-Boc-4-isothiocyanatobutylamine
    • DTXSID50402994
    • J-015632
    • 1,1-Dimethylethyl N-(4-isothiocyanatobutyl)carbamate
    • DAC8GRE664
    • N-Boc-4-isothiocyanatobutylamine, >=97.0%
    • SCHEMBL383580
    • Carbamic acid, N-(4-isothiocyanatobutyl)-, 1,1-dimethylethyl ester
    • D92966
    • AS-77120
    • 247035-47-8
    • tert-butyl 4-isothiocyanatobutylcarbamate
    • tert-Butyl (4-isothiocyanatobutyl)carbamate
    • tert-Butyl N-(4-isothiocyanatobutyl)carbamate, Boc-4-aminobutyl isothiocyanate
    • Carbamic acid, (4-isothiocyanatobutyl)-, 1,1-dimethylethyl ester
    • MDL： MFCD01862958
    • Inchi： 1S/C10H18N2O2S/c1-10(2,3)14-9(13)12-7-5-4-6-11-8-15/h4-7H2,1-3H3,(H,12,13)
    • InChI Key： KWATYFKNNFFFSH-UHFFFAOYSA-N
    • SMILES： S=C=NCCCCNC(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 230.10900
  • Monoisotopic Mass: 230.10889899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 242
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 3
  • Topological Polar Surface Area: 82.8?2

Experimental Properties

  • Color/Form: Liquid
  • Density: 1.067?g/mL?at 20?°C(lit.)
  • Boiling Point: 356.1°C at 760 mmHg
  • Flash Point: 160℃
  • Refractive Index: n20/D 1.504
  • PSA: 82.78000
  • LogP: 2.78500
  • Solubility: Not determined

TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE Security Information

  • WGK Germany：3
  • Hazard Category Code： 42
  • Safety Instruction： 22
  • FLUKA BRAND F CODES：10-21
  • RTECS：MA8050000
  • Hazardous Material Identification： Xn
  • Storage Condition：2-8°C

TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE Customs Data

  • HS CODE：2930909090
  • Customs Data：

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. 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

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE Pricemore >>

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TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:247035-47-8)BOC-4-氨基丁基異硫氰酸酯
Order Number:LE25845873
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:50
Price ($):discuss personally

TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE Related Literature

Additional information on TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE

Comprehensive Guide to TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE (CAS 247035-47-8): Properties, Applications, and Market Insights

TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE (CAS 247035-47-8) is a specialized organic compound gaining attention in pharmaceutical research and fine chemical synthesis. This carbamate derivative features both isothiocyanate and tert-butyl functional groups, making it valuable for conjugation chemistry and drug discovery applications. The compound's molecular formula is C10H18N2O2S, with a molecular weight of 230.33 g/mol.

Recent advancements in bioconjugation techniques have increased demand for TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE, particularly in antibody-drug conjugate (ADC) development. The isothiocyanate group enables efficient coupling with amine-containing biomolecules, while the tert-butyl carbamate (Boc) group provides protection during synthetic processes. This dual functionality answers growing industry needs for versatile crosslinking reagents in biopharmaceutical manufacturing.

The compound's physicochemical properties make it suitable for various research applications. With typical purity levels ≥95%, TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE demonstrates stability under standard laboratory conditions. Storage recommendations include protection from moisture at 2-8°C, ensuring optimal shelf life. Researchers appreciate its balance between reactivity and stability - a key consideration when developing targeted drug delivery systems.

In peptide synthesis, this compound serves as an important building block. The Boc-protected isothiocyanate functionality allows selective modification of peptide sequences, particularly useful when creating fluorescent probes or biomolecular tags. Recent publications highlight its role in developing novel diagnostic agents, addressing the increasing demand for precision medicine tools.

The global market for specialty chemical intermediates like TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE is projected to grow at 6.2% CAGR through 2028, driven by expanding biopharmaceutical research. Manufacturers are developing improved synthesis routes to enhance yield and purity, responding to researchers' needs for high-quality conjugation reagents. Current pricing trends reflect the compound's specialized nature, typically sold in milligram to gram quantities for laboratory use.

Quality control protocols for CAS 247035-47-8 involve rigorous analytical testing, including HPLC, NMR, and mass spectrometry verification. These measures ensure batch-to-batch consistency critical for reproducible research results. Leading suppliers now provide comprehensive technical data sheets and structure-activity relationship information, supporting researchers in experimental design.

Environmental and safety considerations for handling TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE follow standard laboratory protocols. While not classified as hazardous under normal use conditions, proper personal protective equipment (PPE) including gloves and eye protection is recommended. The compound's material safety data sheet (MSDS) provides detailed handling instructions, reflecting industry best practices for research chemical management.

Emerging applications in proteomics research demonstrate the compound's versatility. Scientists are exploring its use in protein labeling strategies and activity-based probes, capitalizing on the isothiocyanate reactivity with biological amines. These developments align with current trends in chemical biology and drug target identification.

Future research directions for TERT-BUTYL N-(4-ISOTHIOCYANATOBUTYL)CARBAMATE may include optimization of its conjugation efficiency and development of derivative compounds. The growing field of theranostics (combined therapy and diagnostics) particularly benefits from such multifunctional reagents. Ongoing studies investigate its potential in nanoparticle functionalization for advanced drug delivery systems.

For researchers sourcing CAS 247035-47-8, key selection criteria include supplier reputation, analytical documentation, and technical support availability. The compound's role in developing next-generation bioconjugates ensures its continued importance in medicinal chemistry and biomaterials science. As synthetic methodologies advance, we anticipate broader adoption of this versatile chemical building block across multiple research disciplines.

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Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:247035-47-8)BOC-4-氨基丁基異硫氰酸酯
LE25845873
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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