CAS 161529-21-1 1,1-Dimethylethyl | RFQ | MolGraph

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InChIKey: XBOPXPWVPIOUTD-MRVPVSSYSA-NC10H20INO2 | MW 313.18

Chemical Identity

Molecular Formula

C10H20INO2

Molecular Weight

313.18 g/mol

Exact Mass

313.05388

PubChem CID

11141505

IUPAC Name

tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate

SMILES String

CC(C)[C@@H](CI)NC(=O)OC(C)(C)C

Names & Synonyms

1,1-Dimethylethyl N-((1S)-1-(iodomethyl)-2-methylpropyl)carbamate(S)-tert-Butyl (1-iodo-3-methylbutan-2-yl)carbamate(S)-1-Iodo-2-(Boc-amino)-3-methylbutaneC10H20INO2(S)-tert-Butyl(1-iodo-3-methylbutan-2-yl)carbamate

Show all synonyms

Tert-butyl (S)-(1-iodo-3-methylbutan-2-yl)carbamatetert-Butyl [(2S)-1-iodo-3-methylbutan-2-yl]carbamatetert-butyl N-[(1S)-1-(iodomethyl)-2-methyl-propyl]carbamate

External Identifiers

RefChem:213954MFCD17214618DTXSID301167383CS-0447694

Catalog Overview

1,1-Dimethylethyl N-[(1S)-1-(iodomethyl)-2-methylpropyl]carbamate, also known by its IUPAC name tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate, is an organoiodine compound. It features a tert-butyl carbamate (Boc) protecting group and a chiral center, with an iodomethyl group and an isopropyl group attached to the chiral carbon. With a molecular formula of C10H20INO2 and a molecular weight of 313.18, this compound is categorized as a functionalized intermediate. It is primarily utilized in research and development as a versatile building block for the synthesis of more complex organic molecules.

Use Context

Research chemical sourcing
Custom synthesis and catalog availability review
COA, SDS, pricing, and fulfillment workflow

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

278.0 °C

Density

1.51 g/cm³

Water Solubility

Insoluble

Flash Point

116.5 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage

Handle with appropriate personal protective equipment, including chemical-resistant gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to prevent inhalation. Avoid direct contact with skin and eyes. Store in a cool, dry place, away from incompatible materials. Always consult the Safety Data Sheet (SDS) for comprehensive hazard information and detailed safe handling procedures. This product is intended for research use only and is not for human or animal therapeutic or diagnostic use.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Related CAS / Similar Products

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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 292429GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

1,1-Dimethylethyl N-[(1S)-1-(iodomethyl)-2-methylpropyl]carbamate