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tert-Butyl (3-chloropropyl)methylcarbamate

CAS 114326-14-6Formula C9H18ClNO2MW 207.7PubChem 14194551

tert-Butyl (3-chloropropyl)methylcarbamate is a functionalized carbamate derivative containing a chloro-propyl group, primarily used as a chemical intermediate in organic synthesis for research purposes.

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InChIKey: BVGHWHRLCIXJTJ-UHFFFAOYSA-NC9H18ClNO2 | MW 207.7

Chemical Identity

Molecular Formula

C9H18ClNO2

Molecular Weight

207.7 g/mol

Exact Mass

207.102607

PubChem CID

14194551

IUPAC Name

tert-butyl N-(3-chloropropyl)-N-methylcarbamate

SMILES String

CN(CCCCl)C(=O)OC(C)(C)C

Names & Synonyms

N-Boc-N-methyl-3-chloro-1-propanaminetert-Butyl (3-chloropropyl)(methyl)carbamate(3-CHLORO-PROPYL)-METHYL-CARBAMIC ACID TERT-BUTYL ESTERCarbamic acid, N-(3-chloropropyl)-N-methyl-, 1,1-dimethylethyl estertert-butyl 3-chloropropyl(methyl)carbamate
Show all synonyms
(3-Chloro-propyl)-methyl-carbamicacidtert-butylesterCarbamic acid, (3-chloropropyl)methyl-, 1,1-dimethylethyl esterBVGHWHRLCIXJTJ-UHFFFAOYSA-NF434771tert-butyl N-(3-chloropropyl)-N-methyl-carbamateN-tert-butoxycarbonyl-N-(3-chloropropyl)-N-methylamine
External Identifiers
DTXSID90557194RefChem:382991DTXCID30507976MFCD09031544SCHEMBL333215AKOS015965233GS-5539SY022383CS-0154817EN300-316551

Catalog Overview

tert-Butyl (3-chloropropyl)methylcarbamate, identified by CAS 114326-14-6 and molecular formula C9H18ClNO2, is an N-Boc protected N-methyl-3-chloro-1-propanamine derivative. This compound features a tert-butyl carbamate protecting group on a methylamino moiety, which is further substituted with a 3-chloropropyl chain. It serves as a versatile building block in synthetic organic chemistry, particularly for introducing protected amine functionalities with a reactive alkyl chloride handle. Its structure makes it suitable for various coupling reactions and further derivatization in the synthesis of more complex molecules for research...

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

tert-Butyl (3-chloropropyl)methylcarbamate, identified by CAS 114326-14-6 and molecular formula C9H18ClNO2, is an N-Boc protected N-methyl-3-chloro-1-propanamine derivative. This compound features a tert-butyl carbamate protecting group on a methylamino moiety, which is further substituted with a 3-chloropropyl chain. It serves as a versatile building block in synthetic organic chemistry, particularly for introducing protected amine functionalities with a reactive alkyl chloride handle. Its structure makes it suitable for various coupling reactions and further derivatization in the synthesis of more complex molecules for research applications.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

Colorless liquid

Physical State

Liquid

Melting Point

-5.0 °C

Boiling Point

230.0 °C

Density

1.1 g/cm³

Water Solubility

Slightly soluble

Flash Point

106.4 °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 tert-Butyl (3-chloropropyl)methylcarbamate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation, ingestion, and skin contact. In case of contact, wash thoroughly with soap and water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before use.

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