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1,1,3,3-Tetramethylbutyl isocyanide

CAS 14542-93-9C9H17NChemical Synthesis

1,1,3,3-Tetramethylbutyl isocyanide (CAS: 14542-93-9) is an organic compound with the molecular formula C9H17N and a molecular weight of 139.24 g/mol. This isocyanide derivative serves as a valuable building block in organic synthesis. It is utilized in various chemical transformations, contributing to the construction of complex molecules. Its properties make it a useful reagent for researchers and chemists involved in synthetic chemistry and materials science.

IUPAC
tert-Octyl isocyanide,Walborsky’s reagent
Synonyms
3-Tetramethylbutyl isocyanide14542-93-9(CH3)3CCH2C(CH3)2NCtert-Octyl isocyanideWalborsky’s reagent
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1,1,3,3-Tetramethylbutyl isocyanide (C9H17N) — chemical structure, CAS 14542-93-9; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanidesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Organic Synthesis Reagent

1,1,3,3-Tetramethylbutyl isocyanide is employed as a versatile reagent in organic synthesis. It participates in various reactions, including multicomponent reactions and cycloadditions, to form new carbon-nitrogen bonds and complex heterocyclic structures.

Building Block for Heterocycles

This compound acts as a crucial building block for the synthesis of diverse heterocyclic compounds. Its isocyanide functionality allows for the facile incorporation of nitrogen atoms into target molecules, which are often found in pharmaceuticals and agrochemicals.

Ligand Development

Isocyanides, including 1,1,3,3-Tetramethylbutyl isocyanide, can be investigated for their potential as ligands in coordination chemistry. Their unique electronic and steric properties can influence the catalytic activity and stability of metal complexes.

02 /Properties
Molecular weight139.24
Linear formula(CH3)3CCH2C(CH3)2NC
Assay95%
Boiling point55-57 °C/11 mmHg(lit.)
Density0.794 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.422(lit.)
Storage temperature2-8°C
03 /Safety & handling
GHS hazard pictogram: Flammable (GHS02)
Flammable
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H226Flammable liquid and vapour
  • H302Harmful if swallowed
  • H312Harmful in contact with skin
  • H332Harmful if inhaled

Precautionary statements

  • P280Wear protective gloves, clothing and eye/face protection
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point52 °C / 125.6 °F
Transport (UN / ADR)UN 1993C 3 / PGIII
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)10-20/21/22
Safety statements (S)23-36/37

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
14542-93-9
MDL number
MFCD00000003
PubChem substance
24888960
Beilstein registry
2076559
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 1,1,3,3-Tetramethylbutyl isocyanide used for?

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1,1,3,3-Tetramethylbutyl isocyanide is primarily used as a building block and reagent in organic synthesis, particularly for the construction of heterocyclic compounds and in multicomponent reactions.

What are the CAS number and chemical formula for 1,1,3,3-Tetramethylbutyl isocyanide?

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The CAS number is 14542-93-9 and the chemical formula is C9H17N.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 1,1,3,3-Tetramethylbutyl isocyanide with an assay of 95%. We do not represent this product as meeting any pharmacopoeial standards such as USP, BP, or EP.

How should 1,1,3,3-Tetramethylbutyl isocyanide be handled safely?

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1,1,3,3-Tetramethylbutyl isocyanide is a flammable liquid and vapour (H226) and is harmful if swallowed, in contact with skin, or if inhaled (H302, H312, H332). Always use appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, and handle in a well-ventilated area. Store at 2-8°C.

Is 1,1,3,3-Tetramethylbutyl isocyanide a controlled substance?

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Based on the provided data, there is no indication that 1,1,3,3-Tetramethylbutyl isocyanide is a controlled substance.

How is 1,1,3,3-Tetramethylbutyl isocyanide packed and shipped?

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This chemical is shipped according to UN 1993 regulations for flammable liquids. It is exported globally by Tech Serve Solutions, adhering to all relevant international shipping and handling protocols for hazardous materials.

How can I request a quote or sample of 1,1,3,3-Tetramethylbutyl isocyanide?

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To request a quote or a sample, please contact our sales department through the website or by phone. Our team will be happy to assist you with your inquiry.

Need 1,1,3,3-Tetramethylbutyl isocyanide in a specific grade or volume?