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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.

Loading RDKit molecule structure...
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.

Related Products / Graph Discovery

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

Similar products (text references)

1503334-87-9CAS 1503334-87-9
1548830-37-0CAS 1548830-37-0

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 292419GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.