2-Methoxycarbonylcyclohexanone

CAS

41302-34-5

Catalog Number

ACM41302345

Category

Other Products

Molecular Weight

156.18

Molecular Formula

C₈H₁₂O₃

MSDS COA Spec Sheet

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Specification

Synonyms

Methyl 2-oxocyclohexanecarboxylate, CID642643, ZINC00388460, 2-Oxocyclohexanecarboxylic acid, methyl ester, Cyclohexanecarboxylic acid, 2-oxo-, methyl ester, InChI=1/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h6H,2-5H2,1H, 41302-34-5

IUPAC Name

methyl (1R)-2-oxocyclohexane-1-carboxylate

Canonical SMILES

COC(=O)C1CCCCC1=O

InChI Key

JEENWEAPRWGXSG-ZCFIWIBFSA-N

Boiling Point

230.8ºC at 760mmHg

Flash Point

94.8ºC

Density

1.111g/cm³

Appearance

clear colorless to slightly yellow liquid

EC Number

255-306-9

Exact Mass

156.07900

H-Bond Acceptor

H-Bond Donor

Safety Description

S23-S24/25

Downstream Synthesis Route 1

41302-34-5

1127-85-1

Reference: [1] Chinese Chemical Letters, 2014, vol. 25, # 7, p. 989 - 994

Downstream Synthesis Route 2

41302-34-5

4344-73-4

Reference: [1]Fichter; Simon
[Helvetica Chimica Acta, 1934, vol. 17, p. 1218,1219]
[2]Current Patent Assignee: MERCK & CO INC - WO2008/51403, 2008, A2
Location in patent: Page/Page column 23; 29

Downstream Synthesis Route 3

67-56-1
102-77-2
41302-34-5

70203-12-2

Reference: [1]Torii,S. et al.
[Bulletin of the Chemical Society of Japan, 1979, vol. 52, # 1, p. 267 - 268]

Downstream Synthesis Route 4

41302-34-5
74-88-4

7500-91-6

Reference: [1]Umemura, Kazuyuki; Matsuyama,Haruo; Watanabe, Nobuko; Kobayashi, Michio; Kamigata, Nobumasa
[Journal of Organic Chemistry, 1989, vol. 54, # 10, p. 2374 - 2383]
[2]Crombie, Leslie; Roughley, Brian S.
[Tetrahedron, 1986, vol. 42, # 12, p. 3147 - 3156]
[3]Pearson, Anthony J.; Mincione, Enrico; Chandler, Malcolm; Raithby, Paul R.
[Journal of the Chemical Society. Perkin transactions I, 1980, p. 2774 - 2780]
[4]Yates, Peter; Gomes, Anabela; Burnell, Jean D.; Cong, Dong Dao; Sawyer, Jeffery F.
[Canadian Journal of Chemistry, 1989, vol. 67, p. 37 - 47]
[5]Nee,G.; Tchoubar,B.
[Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1975, vol. 280, p. 1145 - 1147]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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