87301
Tetraheptylammonium bromide
≥99.0% (AT), flakes
Synonym(s):
THPAB
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About This Item
Linear Formula:
[CH3(CH2)6]4N(Br)
CAS Number:
Molecular Weight:
490.69
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352116
EC Number:
224-459-3
MDL number:
Beilstein/REAXYS Number:
3763391
Product Name
Tetraheptylammonium bromide, ≥99.0% (AT)
Quality Segment
assay
≥99.0% (AT)
form
flakes
reaction suitability
core: ammonium, reaction type: phase-transfer, reagent type: organic catalyst
mp
87-89 °C (lit.)
SMILES string
[Br-].CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC
InChI
1S/C28H60N.BrH/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1
InChI key
YQIVQBMEBZGFBY-UHFFFAOYSA-M
General description
Tetraheptylammonium bromide is a quaternary ammonium compound (QAC) mainly used as a phase-transfer agent. It is used as a catalyst for the Suzuki-Miyaura coupling reactions.
Application
Tetraheptylammonium bromide can be used as:
- An alkylation reagent to synthesize benzothiazoles by using iodoanilines and sulfur.
- A solvent in the Pd-catalyzed Suzuki and Stille coupling reactions of aryl halides.
- A catalyst for carboxylative cyclization of propargylic amines to synthesize oxazolidinones.
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Signal Word
Warning
Hazard Codes
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class
11 - Combustible Solids
Flash Point (°F)
Not applicable
Flash Point (°C)
Not applicable
PPE (personal protective equipment)
dust mask type N95 (US), Eyeshields, Gloves
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