CAS
42549-86-0 Purity
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42549-86-0 Purity
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4,4-Dimethylcyclohexanone
CAS
4255-62-3
Catalog Number
ACM4255623
Category
Other Products
Molecular Weight
126.1962
Molecular Formula
C8H14O
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Specification
Synonyms
4,4-Dimethylcyclohexanone, Cyclohexanone, 4,4-dimethyl-, 663654_ALDRICH, CID138166, 4255-62-3
IUPAC Name
4,4-dimethylcyclohexan-1-one
SMILES
CC1(CCC(=O)CC1)C
InChI Key
PXQMSTLNSHMSJB-UHFFFAOYSA-N
Boiling Point
170.595ºC at 760 mmHg
Melting Point
41-45ºC
Flash Point
137 °F
Density
0.893g/cm³
Exact Mass
126.10400
Hazard Statements
F,Xi
H-Bond Acceptor
1
H-Bond Donor
0
Safety Description
16-26
Upstream Synthesis Route 1
- 1073-13-8
- 932-01-4
- 5020-09-7
- 4255-62-3
Reference: [1] Tetrahedron, 1980, vol. 36, p. 1937 - 1942
[2] European Journal of Organic Chemistry, 2000, # 9, p. 1793 - 1797
Upstream Synthesis Route 2
- 590-66-9
- 2979-19-3
- 1193-46-0
- 932-01-4
- 767-12-4
- 1193-47-1
- 4255-62-3
Reference: [1] Journal of the American Chemical Society, 2015, vol. 137, # 50, p. 15833 - 15842
Upstream Synthesis Route 3
- 932-01-4
- 4255-62-3
Reference: [1]Justus Liebigs Annalen der Chemie,1913,vol. 401,p. 313
Justus Liebigs Annalen der Chemie,1915,vol. 409,p. 164
Downstream Synthesis Route 1
- 4255-62-3
- 932-01-4
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 7, p. 2365 - 2369
Downstream Synthesis Route 2
- 4255-62-3
- 75620-63-2
Reference: [1]Current Patent Assignee: ROCHE HOLDING AG - US2007/185113, 2007, A1
Location in patent: Page/Page column 15
[2]Corey
[Journal of the American Chemical Society, 1953, vol. 75, p. 2301,2303]
[3]Habala, Ladislav; Dworak, Claudia; Nazarov, Alexey A.; Hartinger, Christian G.; Abramkin, Sergey A.; Arion, Vladimir B.; Lindner, Wolfgang; Galanski, Markus; Keppler, Bernhard K.
[Tetrahedron, 2008, vol. 64, # 1, p. 137 - 146]
Downstream Synthesis Route 3
- 4255-62-3
- 16838-81-6
Reference: [1]Greco, Michael N.; Maryanoff, Bruce E.
[Tetrahedron Letters, 1992, vol. 33, # 35, p. 5009 - 5012]
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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