bicyclo[3.2.1]octane-2,4-dione

Product Name: bicyclo[3.2.1]octane-2,4-dione
CAS No.: 74896-14-3
Chemical Name: bicyclo[3.2.1]octane-2,4-dione
Synonyms: bicyclo[3.2.1]octane-2,4-dione
CBNumber: CB42738819
Molecular Formula: C8H10O2
Formula Weight: 138.16
MOL File: 74896-14-3.mol

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bicyclo[3.2.1]octane-2,4-dione Property

Melting point:: 123.5 °C
Boiling point:: 275.8±13.0 °C(Predicted)
Density: 1.191±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 10.30±0.20(Predicted)
color: Pale Beige to Light Brown
InChI: InChI=1S/C8H10O2/c9-7-4-8(10)6-2-1-5(7)3-6/h5-6H,1-4H2
InChIKey: VCYHIHMHWASQAB-UHFFFAOYSA-N
SMILES: C12CC(CC1)C(=O)CC2=O

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P321Specific treatment (see … on this label).

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

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N-Bromosuccinimide Price

AK Scientific

Product number: 2411AQ
Product name: Bicyclo[3.2.1]octane-2,4-dione
Packaging: 1g
Price: $574.4
Updated: 2021/12/16

Ambeed

Product number: A180597
Product name: Bicyclo[3.2.1]octane-2,4-dione
Purity: 97%
Packaging: 100mg
Price: $50
Updated: 2021/12/16

Ambeed

Product number: A180597
Product name: Bicyclo[3.2.1]octane-2,4-dione
Purity: 97%
Packaging: 250mg
Price: $79
Updated: 2021/12/16

Crysdot

Product number: CD00002173
Product name: Bicyclo[3.2.1]octane-2,4-dione
Purity: 97%
Packaging: 250mg
Price: $145
Updated: 2021/12/16

Ambeed

Product number: A180597
Product name: Bicyclo[3.2.1]octane-2,4-dione
Purity: 97%
Packaging: 1g
Price: $197
Updated: 2021/12/16

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bicyclo[3.2.1]octane-2,4-dione Chemical Properties,Usage,Production

Uses

Bicyclo[3.2.1]??octane-??2,??4-??dione is an impurity of the herbicide Benzobicyclon (B366140), Hydrolysate which is used in rice fields.

Synthesis

868946-82-1

74896-14-3

Preparation of bicyclo[3.2.1]octane-2,4-dione: To a chlorobenzene solution containing 29 g (6.3% w/w, absolute mass 1.83 g, 9.1 mmol) of bromo-bicyclo[3.2.1]oct-3-en-2-one was added 50 ml of acetonitrile and 100 ml of 10% sulphuric acid, and the reaction mixture was stirred for 90 min at reflux temperature (~70 °C). Subsequently, another 50 ml of acetonitrile was added and stirring was continued for 17 hours until the reaction was complete (the progress of the reaction was monitored by HPLC). Upon completion of the reaction, acetonitrile and most of the chlorobenzene were removed using a rotary evaporator. The residue was extracted with 100 ml of ethyl acetate and the aqueous phase was separated. The organic phase was dried over magnesium sulfate, filtered and concentrated in vacuum to remove the solvent, resulting in 0.86 g (68% yield) of bicyclo[3.2.1]octane-2,4-dione. Mass spectral (MS) data: 138 (M+), 109, 96, 81, 68, 55, 39. 1H NMR (CDCl3) data: 1.80-2.15 (m, 6H), 2.95 (s, 2H), 3.05-3.15 (d, 1H), 3.20-3.30 (d, 1H).

References

[1] Patent: WO2005/105717, 2005, A1. Location in patent: Page/Page column 7-8

bicyclo[3.2.1]octane-2,4-dione Preparation Products And Raw materials

Raw materials

Preparation Products

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bicyclo[3.2.1]octane-2,4-dione Suppliers

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74896-14-3, bicyclo[3.2.1]octane-2,4-dioneRelated Search:

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bicyclo[3.2.1]octane-2,4-dione

74896-14-3