Cas no 78954-23-1 (Yakuchinone A)

Yakuchinone A structure
Yakuchinone A structure
Product Name:Yakuchinone A
CAS No:78954-23-1
MF:C20H24O3
MW:312.402766227722
CID:572796
Update Time:2025-09-17

Yakuchinone A Chemical and Physical Properties

Names and Identifiers

    • 3-Heptanone,1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-
    • 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone
    • Yakuchinone A
    • 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone (ACI)
    • Inchi: 1S/C20H24O3/c1-23-20-15-17(12-14-19(20)22)11-13-18(21)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,12,14-15,22H,5-6,9-11,13H2,1H3
    • InChI Key: TXELARZTKDBEKS-UHFFFAOYSA-N
    • SMILES: O=C(CCCCC1C=CC=CC=1)CCC1C=C(OC)C(O)=CC=1

Computed Properties

  • Exact Mass: 312.173
  • Monoisotopic Mass: 312.173
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 9
  • Complexity: 336
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6

Experimental Properties

  • Density: 1.095
  • Boiling Point: 495.8°C at 760 mmHg
  • Flash Point: 174.3°C
  • Refractive Index: 1.559

Yakuchinone A Pricemore >>

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Yakuchinone A Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol
Reference
Synthesis of yakuchinone derivatives and their inhibitory activities on nitric oxide synthesis
Yoon, Joung Wha; Ahn, Hanna; Ryu, Jae-Ha; Kim, Hee-Doo, Yakhak Hoechi, 2001, 45(1), 16-22

Production Method 2

Reaction Conditions
1.1 Reagents: Magnesium Catalysts: Iodine Solvents: Tetrahydrofuran ;  40 °C; 1 h, 40 °C; 40 °C → 0 °C
1.2 0 °C; 3 h, 0 °C → rt
Reference
Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B
Shi, Xiang; Deng, Yu; Kurtz, Nicole C.; Sun, Yue; Xue, Mingxing; et al, Synthetic Communications, 2022, 52(4), 513-520

Production Method 3

Reaction Conditions
1.1 Reagents: Carbon monoxide ,  1,8-Diazabicyclo[5.4.0]undec-7-ene ,  Water ,  Selenium Solvents: Tetrahydrofuran
Reference
Selective reduction of α,β-unsaturated carbonyl compounds with carbon monoxide and water assisted by selenium
Nishiyama, Yutaka; Makino, Yasuhiko; Hamanaka, Sawako; Ogawa, Akiya; Sonoda, Noboru, Bulletin of the Chemical Society of Japan, 1989, 62(5), 1682-4

Production Method 4

Reaction Conditions
1.1 Reagents: Water Catalysts: Palladium
Reference
Suppression of inducible nitric oxide synthase expression by yakuchinones and their analogues
Lee, Hwa Jin; Kim, Ji Sun; Yoon, Joung Wha; Kim, Hee-Doo; Ryu, Jae-Ha, Chemical & Pharmaceutical Bulletin, 2006, 54(3), 377-379

Yakuchinone A Raw materials

Yakuchinone A Preparation Products

Yakuchinone A Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:78954-23-1)Yakuchinone A
Order Number:A1038247
Stock Status:in Stock
Quantity:250mg
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:03
Price ($):211.0
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:78954-23-1)YakuchinoneA
Order Number:CRN0829
Stock Status:in stock
Quantity:5mg/20mg/50mg
Purity:≥98%
Pricing Information Last Updated:Friday, 14 March 2025 10:55
Price ($):
Recommended suppliers
Amadis Chemical Company Limited
(CAS:78954-23-1)Yakuchinone A
A1038247
Purity:99%
Quantity:250mg
Price ($):211.0
Email
Hubei Cuiyuan Biotechnology Co.,Ltd
(CAS:78954-23-1)YakuchinoneA
CRN0829
Purity:≥98%
Quantity:5mg/20mg/50mg
Price ($):Inquiry
Email