157996
1,3-Cycloheptadiene
95%
Sign In to View Organizational & Contract Pricing.
Select a Size
About This Item
Empirical Formula (Hill Notation):
C7H10
CAS Number:
Molecular Weight:
94.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
223-762-8
Beilstein/REAXYS Number:
1847604
MDL number:
Assay:
95%
refractive index
n20/D 1.498 (lit.)
bp
120-121 °C (lit.)
density
0.868 g/mL at 25 °C (lit.)
storage temp.
2-8°C
InChI key
GWYPDXLJACEENP-UHFFFAOYSA-N
InChI
1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2
SMILES string
C1CC=CC=CC1
assay
95%
impurities
≤3% cycloheptatriene
Quality Level
Related Categories
General description
1,3-Cycloheptadiene is a 1,3-cycloalkadiene. Isomerization of highly strained (E,E)-1,3-cycloheptadiene was investigated through double bond rotation, and electrocyclic ring closure. [1,5] Sigmatropic hydrogen shifts in 1,3-cyclohepatdiene were studied by density functional calculations.
Application
1,3-Cycloheptadiene was used in the preparation of enantiopure epoxy cycloheptenyl sulfones.
signalword
Danger
hcodes
Hazard Classifications
Asp. Tox. 1 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
51.8 °F - closed cup
flash_point_c
11 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
This item has
Choose from one of the most recent versions:
Already Own This Product?
Find documentation for the products that you have recently purchased in the Document Library.
W Jiang et al.
Organic letters, 2(15), 2181-2184 (2000-08-10)
Enantiopure epoxy cycloheptenyl sulfones syn-7b and anti-7b are prepared in five high-yielding and stereospecific operations from 1, 3-cycloheptadiene. These substrates serve as effective precursors for cis- and trans-substituted tetrahydrofurans (12, 10) which are segments of the antineoplastic agent IKD-8344.
B Andes Hess et al.
The Journal of organic chemistry, 67(17), 6025-6033 (2002-08-17)
Density functional calculations have been carried out for [1,5] hydrogen shifts in 1,3-cycloalkadienes (cyclohexadiene, cycloheptadiene, and cyclooctadiene). The complexity of the potential surfaces of these reactions was found to increase with ring size. For 1,3-cyclohexadiene a single transition structure for
Stability and thermal rearrangement of (E,E)-1,3-cycloheptadiene and trans-bicyclo[3.2.0]hept-6-ene.
Changyong Qin et al.
The journal of physical chemistry. A, 110(5), 2034-2038 (2006-02-03)
The highly strained (E,E)-1,3-cycloheptadiene was shown to be a minimum on the potential energy surface; two structural isomers were found at the MP2 level, but multiconfiguration self-consistent field calculations show that only one is a true minimum. The isomerization of
Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.
Contact Technical Service