C99205
Cycloheptatriene
95%
Synonym(s):
Tropiliden, Tropilidene
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About This Item
Empirical Formula (Hill Notation):
C7H8
CAS Number:
Molecular Weight:
92.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
208-866-3
Beilstein/REAXYS Number:
506066
MDL number:
Assay:
95%
Form:
liquid
InChI key
CHVJITGCYZJHLR-UHFFFAOYSA-N
InChI
1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
SMILES string
C1C=CC=CC=C1
assay
95%
form
liquid
refractive index
n20/D 1.519 (lit.)
bp
116-117 °C (lit.)
density
0.888 g/mL at 25 °C (lit.)
storage temp.
2-8°C
Quality Level
Related Categories
General description
Contains 0.02%-0.15% BHT
Application
Cycloheptatriene can be used as a reactant to synthesize:
- 2-Hydroxyazulene via [2+2] cycloaddition reaction with dichloroketene, and subsequent ring expansion reaction with diazomethane.
- 7-Alkyl-bicyclo[4.2.1]nona-2,4,7-trienes by cobalt catalyzed [6+2] cycloaddition with terminal alkynes.
- (3,5-Cycloheptadienyl)diphenylphosphine ligand by reacting with diphenylphosphine.
signalword
Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 3 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
41.0 °F
flash_point_c
5 °C
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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Mathieu Achard et al.
Organic letters, 7(12), 2353-2356 (2005-06-04)
[reaction: see text] The CoI2(dppe)/Zn/ZnI2 system effectively catalyzes the [6 + 2] cycloaddition of cycloheptatriene with terminal alkynes to afford 7-alkyl-bicyclo[4.2.1]nona-2,4,7-trienes in fair to excellent yields. The catalyst proved to be tolerant toward functional groups such as ketone, sulfone, ester
(Cycloheptadienyl) diphenylphosphine: A Versatile Hybrid Ligand
Massard A, et al.
Organometallics, 31(3), 947-958 (2012)
Michael H Palmer et al.
The Journal of chemical physics, 153(5), 054301-054301 (2020-08-11)
The vacuum ultraviolet (VUV) spectrum for cyclohepta-1,3,5-triene up to 10.8 eV shows several broad bands, which are compared with electron impact spectra. Local curve fitting exposed groups of sharp vibrational peaks, which are assigned to Rydberg states. The vertical excitation
[2+ 2] Cycloaddition reaction of cycloheptatriene with dichloroketene. A novel and efficient synthetic strategy for the synthesis of 2-hydroxyazulene
Yokoyama R, et al.
Journal of the Chemical Society. Perkin Transactions 1, (18), 2257-2261 (2001)
Katharina Thum et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 27(7), 2513-2522 (2020-11-17)
The first intermolecular early main group metal-alkene complexes were isolated. This was enabled by using highly Lewis acidic Mg centers in the Lewis base-free cations (Me BDI)Mg+ and (tBu BDI)Mg+ with B(C6 F5 )4 - counterions (Me BDI=CH[C(CH3 )N(DIPP)]2
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