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5-(2-Furyl)-1,3-cyclohexanedione - 96%, high purity , CAS No.1774-11-4

COA

Grade & Purity:

≥96%

Cas Number: 1774-11-4
Molecular Weight: 178.18
MDL number: MFCD00104796
PubChem CID: 699513
PubChem SID: 488191184

In stock

Item Number

F167972

Grouped product items
SKU	Size	Availability	Price
F167972-250mg	250mg	2	$27.90
F167972-1g	1g	1	$83.90
F167972-5g	5g	1	$320.90
F167972-10g	10g	1	$576.90
F167972-25g	25g	1	$1,296.90

Basic Description

Synonyms	1774-11-4 \| 5-(furan-2-yl)cyclohexane-1,3-dione \| 5-(2-furyl)cyclohexane-1,3-dione \| 5-(2-Furyl)-1,3-cyclohexanedione \| 1,3-Cyclohexanedione, 5-(2-furanyl)- \| 5-Furan-2-yl-cyclohexane-1,3-dione \| 5-(2-furanyl)cyclohexane-1,3-dione \| MFCD00104796 \| SR-01000450568 \| NANAOMYC
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	It may be used as a reactant in the synthesis of 12-aryl(hetaryl)-9-(2-furyl)-7,8,9,10,11,12-hexahydrobenzo[a]-acridin-11-ones bearing two asymmetric carbon atoms (C9 and C12). Product description： 5-(2-Furyl)-1,3-cyclohexanedione may be used as a reactant in the synthesis of 12-aryl(hetaryl)-9-(2-furyl)-7,8,9,10,11,12-hexahydrobenzo[a]-acridin-11-ones bearing two asymmetric carbon atoms (C9 and C12).

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 1,3-dicarbonyl compounds
        Level6 Beta-diketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	1,3-dicarbonyl compounds
Direct Parent	Beta-diketones
Alternative Parents	Heteroaromatic compounds Furans Cyclic ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1,3-diketone - Heteroaromatic compound - Furan - Cyclic ketone - Ketone - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLB Tchem DNA polymerase beta (23632 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLK Tbio DNA polymerase kappa (8653 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLH Tchem DNA polymerase eta (21678 Activities)

Discover Target: POLH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

Discover Target: Npsr1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488191184
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191184
IUPAC Name	5-(furan-2-yl)cyclohexane-1,3-dione
INCHI	InChI=1S/C10H10O3/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-3,7H,4-6H2
InChIKey	FYLTVHCMIYGVPZ-UHFFFAOYSA-N
Smiles	C1C(CC(=O)CC1=O)C2=CC=CO2
Isomeric SMILES	C1C(CC(=O)CC1=O)C2=CC=CO2
WGK Germany	3
Molecular Weight	178.18
Reaxy-Rn	383913
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383913&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot Number	Certificate Type	Date	Item
G2329580	Certificate of Analysis	Aug 05, 2023	F167972
G2329576	Certificate of Analysis	Aug 05, 2023	F167972
G2329568	Certificate of Analysis	Aug 03, 2023	F167972
G2329567	Certificate of Analysis	Aug 03, 2023	F167972
G2329605	Certificate of Analysis	Aug 03, 2023	F167972
G2329562	Certificate of Analysis	Aug 03, 2023	F167972
G2329549	Certificate of Analysis	Aug 03, 2023	F167972
G2408056	Certificate of Analysis	Aug 03, 2023	F167972
G2329547	Certificate of Analysis	Aug 03, 2023	F167972
G2329574	Certificate of Analysis	Aug 03, 2023	F167972
G2329573	Certificate of Analysis	Aug 03, 2023	F167972

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Chemical and Physical Properties

Melt Point(°C)	152-155°C
Molecular Weight	178.180 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	178.063 Da
Monoisotopic Mass	178.063 Da
Topological Polar Surface Area	47.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	218.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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