Product Name

  • Name

    CASHMERAN

  • EINECS 251-649-3
  • CAS No. 33704-61-9
  • Article Data8
  • CAS DataBase
  • Density 0.966 g/cm3
  • Solubility 49.1mg/L at 20℃
  • Melting Point
  • Formula C14H22O
  • Boiling Point 286.116 °C at 760 mmHg
  • Molecular Weight 206.328
  • Flash Point 126.979 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 33704-61-9 (CASHMERAN)
  • Hazard Symbols Xn
  • 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;
  • PSA 17.07000
  • LogP 3.73810

Synthetic route

2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1H-indene
33704-59-5

2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1H-indene

cashmeran
33704-61-9

cashmeran

Conditions
ConditionsYield
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;
2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1H-indene
33704-59-5

2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1H-indene

A

1,1,2,3,3-pentamethyl-4-hydroxy-4,5,6,7-tetrahydroindane
33711-43-2

1,1,2,3,3-pentamethyl-4-hydroxy-4,5,6,7-tetrahydroindane

B

cashmeran
33704-61-9

cashmeran

Conditions
ConditionsYield
With oxygen; cobalt-naphthenate catalyst (ALDRICH, 6 wt percent Co) In mineral spirits; water at 125℃; for 17h; Product distribution / selectivity;
7,7,8,9,9-pentamethyllbicyclo[4.3.0]nonan-2-one

7,7,8,9,9-pentamethyllbicyclo[4.3.0]nonan-2-one

cashmeran
33704-61-9

cashmeran

Conditions
ConditionsYield
With Pd(DMSO)2(trifluoroacetate)2; oxygen; acetic acid at 100℃; under 760.051 Torr;70 %Chromat.
1-bromo-4-butene
5162-44-7

1-bromo-4-butene

cashmeran
33704-61-9

cashmeran

4-But-3-enyl-1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydro-1H-inden-4-ol

4-But-3-enyl-1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydro-1H-inden-4-ol

Conditions
ConditionsYield
With lithium In tetrahydrofuran for 1h; Irradiation;63%
cashmeran
33704-61-9

cashmeran

allyl alcohol
107-18-6

allyl alcohol

1,1,2,3,3-pentamethyl-5-prop-2-enyl-2,3,5,6,7-pentahydroinden-4-one

1,1,2,3,3-pentamethyl-5-prop-2-enyl-2,3,5,6,7-pentahydroinden-4-one

Conditions
ConditionsYield
With methanesulfonic acid at 80 - 90℃; for 24h; Heating / reflux;
cashmeran
33704-61-9

cashmeran

3-Chloro-2-methylpropene
563-47-3

3-Chloro-2-methylpropene

1,1,2,3,3-pentamethyl-5-(2-methylprop-2-enyl)-2,3,5,6,7-pentahydroinden-4-one

1,1,2,3,3-pentamethyl-5-(2-methylprop-2-enyl)-2,3,5,6,7-pentahydroinden-4-one

Conditions
ConditionsYield
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;
cashmeran
33704-61-9

cashmeran

formamidine acetic acid
3473-63-0

formamidine acetic acid

1,1,2,3,3-pentamethyl-2,3,4,5-tetrahydro-1H-7,9-diaza-cyclopenta[a]naphthalene
1315251-11-6

1,1,2,3,3-pentamethyl-2,3,4,5-tetrahydro-1H-7,9-diaza-cyclopenta[a]naphthalene

Conditions
ConditionsYield
In butan-1-ol at 118℃; for 4h;
cashmeran
33704-61-9

cashmeran

7,7,8,9,9-pentamethyllbicyclo[4.3.0]nonan-2-one

7,7,8,9,9-pentamethyllbicyclo[4.3.0]nonan-2-one

Conditions
ConditionsYield
With hydrogen
cashmeran
33704-61-9

cashmeran

cis-6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl-5H-cyclopenta[H]quinazoline

cis-6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl-5H-cyclopenta[H]quinazoline

trans-6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl-5H-cyclopenta[H]quinazoline

trans-6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl-5H-cyclopenta[H]quinazoline

Conditions
ConditionsYield
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
cashmeran
33704-61-9

cashmeran

1,1,2,3,3-pentamethyl-hexahydro-indene-4,5-dione
1404306-58-6

1,1,2,3,3-pentamethyl-hexahydro-indene-4,5-dione

cashmeran
33704-61-9

cashmeran

A

6,6,7,8,8-pentamethyl-5,5a,6,7,8,8a-hexahydro-4H-indeno[4,5-d]oxazole
1404306-57-5

6,6,7,8,8-pentamethyl-5,5a,6,7,8,8a-hexahydro-4H-indeno[4,5-d]oxazole

B

6,6,7,8,8-pentamethyl-5,5a,6,7,8,8a-hexahydro-4H-1-oxa-3-aza-as-indacene
1404306-56-4

6,6,7,8,8-pentamethyl-5,5a,6,7,8,8a-hexahydro-4H-1-oxa-3-aza-as-indacene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
2: formamide
View Scheme
cashmeran
33704-61-9

cashmeran

2,6,6,7,8,8-hexamethyl-5,5a,6,7,8,8a-hexahydro-4H-3-thia-1-aza-as-indacene
1404306-60-0

2,6,6,7,8,8-hexamethyl-5,5a,6,7,8,8a-hexahydro-4H-3-thia-1-aza-as-indacene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
2: diethylene glycol dimethyl ether
View Scheme

1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one Chemical Properties

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: C14H22
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

1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one 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.

1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one 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 .

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