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Home > Encyclopedia > cis-Tetrahydro-2,5(1H,3H)-pentalenedione

cis-Tetrahydro-2,5(1H,3H)-pentalenedione

cis-Tetrahydro-2,5(1H,3H)-pentalenedione structure

cis-Tetrahydro-2,5(1H,3H)-pentalenedione 

structure
  • CAS No:

    51716-63-3

  • Formula:

    C8H10O2

  • Chemical Name:

    cis-Tetrahydro-2,5(1H,3H)-pentalenedione

  • Synonyms:

    2,5(1H,3H)-Pentalenedione,tetrahydro-,cis-;cis-Tetrahydro-2,5(1H,3H)-pentalenedione;cis-Bicyclo[3.3.0]octane-3,7-dione;rel-(3aR,6aS)-Tetrahydropentalene-2,5(1H,3H)-dione;131213-99-5

cis-Tetrahydro-2,5(1H,3H)-pentalenedione Basic Attributes

138.16

138.16

257-357-2

139193

DTXSID60199666

Characteristics

34.1

-0.4

1.191 g/cm3

82-84 °C @ Solvent: Methanol

268.3°C at 760 mmHg

99.4ºC

1.519

Safety Information

NONH for all modes of transport

3

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

cis-Tetrahydro-2,5(1H,3H)-pentalenedione Use and Manufacturing

Step 2 (cis)- Bicyclo[3.3.0]octane-3, 7-dione; (cis)-Tetramethyl bicyclo[3.3.0]octane-3, 7-dioxo-2, 4, 6, 8-tetracarboxylate 14b (6.75 g, 0.02 mol) was dissolved in 3.3 mL of acetic acid followed by the addition of 30 mL of 1 M hydrochloric acid. The reaction solution was heated to reflux for 3.5 hours and then cooled down to room temperature. The reaction solution was extracted with dichloromethane (50 mL.x.3). The combined orgnic phase was concentrated under reduced pressure, added with 100 mL of dichloromethane, added dropwise with saturated sodium bicarbonate solution to adjust pH to 7 and seperated. The organic phase was dried over anhydrous magnesium sulfate, filtered and the filtrate was concentrated under reduced pressure to obtain the title compound (cis)-bicyclo[3.3.0]octane -3, 7-dione 14c (2 g, yield: 80.0percent) as a white solid.Step 2

Computed Properties

Molecular Weight:138.16
XLogP3:-0.4
Hydrogen Bond Acceptor Count:2
Exact Mass:138.068079557
Monoisotopic Mass:138.068079557
Topological Polar Surface Area:34.1
Heavy Atom Count:10
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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