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| CAS No.: | 33704-61-9 |
|---|---|
| Name: | CASHMERAN |
| Article Data: | 8 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H22O |
| Molecular Weight: | 206.328 |
| Synonyms: | 4(5H)-Indanone,6,7-dihydro-1,1,2,3,3-pentamethyl- (8CI);6,7-Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone; |
| EINECS: | 251-649-3 |
| Density: | 0.966 g/cm3 |
| Boiling Point: | 286.116 °C at 760 mmHg |
| Flash Point: | 126.979 °C |
| Solubility: | 49.1mg/L at 20℃ |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 17.07000 |
| LogP: | 3.73810 |
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- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
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- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 33704-59-5
2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1H-indene
- 33704-61-9
cashmeran
| Conditions | Yield |
|---|---|
| Stage #1: 2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1H-indene With oxygen; cobalt-naphthenate catalyst (ALDRICH, 6 wt percent Co) In mineral spirits; water at 125℃; for 17h; Stage #2: With oxygen; Au-CeO2 catalyst In mineral spirits; water at 125℃; for 24h; Product distribution / selectivity; |
- 33704-59-5
2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1H-indene
A
- 33711-43-2
1,1,2,3,3-pentamethyl-4-hydroxy-4,5,6,7-tetrahydroindane
B
- 33704-61-9
cashmeran
| Conditions | Yield |
|---|---|
| With oxygen; cobalt-naphthenate catalyst (ALDRICH, 6 wt percent Co) In mineral spirits; water at 125℃; for 17h; Product distribution / selectivity; |
- 33704-61-9
cashmeran
| Conditions | Yield |
|---|---|
| With Pd(DMSO)2(trifluoroacetate)2; oxygen; acetic acid at 100℃; under 760.051 Torr; | 70 %Chromat. |
- 5162-44-7
1-bromo-4-butene
- 33704-61-9
cashmeran
| Conditions | Yield |
|---|---|
| With lithium In tetrahydrofuran for 1h; Irradiation; | 63% |
- 33704-61-9
cashmeran
- 107-18-6
allyl alcohol
| Conditions | Yield |
|---|---|
| With methanesulfonic acid at 80 - 90℃; for 24h; Heating / reflux; |
- 33704-61-9
cashmeran
- 563-47-3
3-Chloro-2-methylpropene
| Conditions | Yield |
|---|---|
| Stage #1: cashmeran With lithium diisopropyl amide In tetrahydrofuran at -10 - 0℃; for 2h; Stage #2: 3-Chloro-2-methylpropene at 0 - 60℃; for 22h; Heating / reflux; |
- 33704-61-9
cashmeran
- 3473-63-0
formamidine acetic acid
- 1315251-11-6
1,1,2,3,3-pentamethyl-2,3,4,5-tetrahydro-1H-7,9-diaza-cyclopenta[a]naphthalene
| Conditions | Yield |
|---|---|
| In butan-1-ol at 118℃; for 4h; |
- 33704-61-9
cashmeran
| Conditions | Yield |
|---|---|
| With hydrogen |
- 33704-61-9
cashmeran
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: butan-1-ol / 4 h / 118 °C 2: hydrogen / palladium on activated charcoal / isopropyl alcohol / 4 h / 180 °C / Sealed autoclave; Inert atmosphere View Scheme |
- 33704-61-9
cashmeran
- 1404306-58-6
1,1,2,3,3-pentamethyl-hexahydro-indene-4,5-dione
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- 33725-54-1ferric maltol
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- 3380-30-1HYDROXYDICHLORODIPHENYL ETHER
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- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
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- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Chemistry
Molecule structure of 1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one (CAS NO.33704-61-9):
IUPAC Name: 1,1,2,3,3-Pentamethyl-2,5,6,7-tetrahydroinden-4-one
Molecular Weight: 206.32388 [g/mol]
Molecular Formula: C14H22O
Index of Refraction: 1.495
Molar Refractivity: 62.34 cm3
Molar Volume: 213.6 cm3
Surface Tension: 31.8 dyne/cm
Density: 0.96 g/cm3
Flash Point: 127 °C
Enthalpy of Vaporization: 52.52 kJ/mol
Boiling Point: 286.1 °C at 760 mmHg
Vapour Pressure: 0.00269 mmHg at 25 °C
XLogP3-AA: 3.3
H-Bond Acceptor: 1
Tautomer Count: 5
Exact Mass: 206.167065
MonoIsotopic Mass: 206.167065
Topological Polar Surface Area: 17.1
Heavy Atom Count: 15
Complexity: 344
Canonical SMILES: CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C
InChI: InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3
InChIKey: MIZGSAALSYARKU-UHFFFAOYSA-N
EINECS: 251-649-3
Product Categories of 1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one (CAS NO.33704-61-9): Aromatics; Heterocycles; Impurities; Intermediates & Fine Chemicals; Pharmaceuticals
Uses
1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one (CAS NO.33704-61-9) is used as an impurity of Donepezil.
Specification
1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one (CAS NO.33704-61-9) is also named as 6,7-Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone ; Cashmeran ; 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl- ; 1,1,2,3,3-pentamethyl-1,2,3,5,6,7-hexahydro-4H-inden-4-one .