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Carbamic acid, (1-(iodomethyl)propyl)-, 1,1-dimethylethyl ester, (S)-

CAS 161529-23-3Formula C9H18INO2MW 299.15PubChem 15529791

(S)-tert-Butyl (1-iodobutan-2-yl)carbamate, also known as Carbamic acid, (1-(iodomethyl)propyl)-, 1,1-dimethylethyl ester, (S)-, is a chiral carbamate derivative containing an iodomethyl group. With the chemical formula C9H18INO2 and a molecular weight of 299.15, it serves as a functionalized intermediate in organic synthesis.

Loading RDKit molecule structure...
InChIKey: BOMZZPKYLGOCKD-ZETCQYMHSA-NC9H18INO2 | MW 299.15

Chemical Identity

Molecular Formula

C9H18INO2

Molecular Weight

299.15 g/mol

Exact Mass

299.03823

PubChem CID

15529791

IUPAC Name

tert-butyl N-[(2S)-1-iodobutan-2-yl]carbamate

SMILES String

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

Names & Synonyms

Carbamic acid, [1-(iodomethyl)propyl]-, 1,1-dimethylethyl ester, (S)-(S)-tert-Butyl (1-iodobutan-2-yl)carbamate(S)-t-Butyl (1-iodobutan-2-yl)carbamate(S)-tert-Butyl(1-iodobutan-2-yl)carbamatetert-Butyl [(2S)-1-iodobutan-2-yl]carbamate
External Identifiers
RefChem:331769DTXSID401157416MFCD28405269

Catalog Overview

tert-Butyl N-[(2S)-1-iodobutan-2-yl]carbamate, identified by CAS 161529-23-3, is a chiral organic compound featuring a tert-butyl carbamate protecting group and an iodomethyl substituent on a butan-2-yl backbone. This (S)-enantiomer is characterized by its C9H18INO2 molecular formula and a molecular weight of 299.15. As a functionalized intermediate, it is valuable in synthetic chemistry for introducing chiral centers and iodine functionalities, often utilized in the preparation of more complex molecules where stereospecificity is crucial.

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Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

320.0 °C

Density

1.53 g/cm³

Water Solubility

Slightly soluble

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 (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. Store in a cool, dry, and dark place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. For research use only.

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