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beta,beta-Dimethylacrylshikonin

Base Information Edit
  • Chemical Name:beta,beta-Dimethylacrylshikonin
  • CAS No.:24502-79-2
  • Molecular Formula:C21H22O6
  • Molecular Weight:370.402
  • Hs Code.:2916129000
  • Nikkaji Number:J156.605I
  • Wikidata:Q27155028
  • Metabolomics Workbench ID:129931
  • ChEMBL ID:CHEMBL267024
  • Mol file:24502-79-2.mol
beta,beta-Dimethylacrylshikonin

Synonyms:24502-79-2;beta,beta-Dimethylacrylshikonin;Dimethylacrylshikonin;Shikonin beta,beta-dimethylacrylate;(beta,beta-Dimethylacryl)shikonin;Isoarnebin I;CHEBI:81071;[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate;2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (+)-;dimethylacrylalkannin;b, b-Dimethylacrylshikonin;SCHEMBL2876200;(,-DIMETHYLACRYL)SHIKONIN;2-Butenoic acid, 3-methyl-, (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester;2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (R)-;MFCD00143687;AKOS016010086;CCG-208399;AC-35166;C17415;F17674;A877899;Q27155028;(1R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-pentenyl 3-methyl-2-butenoate, AldrichCPR;(R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-methylbut-2-enoate;(R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-enyl 3-methylbut-2-enoate

Suppliers and Price of beta,beta-Dimethylacrylshikonin
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • AK Scientific
  • beta,beta-Dimethylacrylshikonin
  • 100mg
  • $ 247.00
  • American Custom Chemicals Corporation
  • (BETA,BETA-DIMETHYLACRYL)SHIKONIN 95.00%
  • 100MG
  • $ 620.93
  • Arctom
  • Dimethylacrylshikonin ≥98%
  • 250mg
  • $ 544.00
  • Arctom
  • Dimethylacrylshikonin ≥98%
  • 1g
  • $ 1358.00
  • Arctom
  • Dimethylacrylshikonin ≥98%
  • 100mg
  • $ 363.00
  • Arctom
  • Dimethylacrylshikonin ≥98%
  • 20mg
  • $ 158.00
  • AvaChem
  • Beta, beta-dimethylacrylshikonin
  • 10mg
  • $ 159.00
  • Biorbyt Ltd
  • Beta,beta-Dimethylacrylshikonin
  • 20 mg
  • $ 408.00
  • Biorbyt Ltd
  • beta,beta-Dimethylacrylshikonin >98%,Standard References Grade
  • 20 mg
  • $ 569.50
  • Biorbyt Ltd
  • Beta,beta-Dimethylacrylshikonin
  • 100 mg
  • $ 654.50
Total 46 raw suppliers
Chemical Property of beta,beta-Dimethylacrylshikonin Edit
Chemical Property:
  • Melting Point:103°C 
  • Boiling Point:587.3°Cat760mmHg 
  • PKA:7.07±0.20(Predicted) 
  • Flash Point:206.4°C 
  • PSA:100.90000 
  • Density:1.269g/cm3 
  • LogP:3.63750 
  • Storage Temp.:2-8°C 
  • Solubility.:DMSO (Slightly, Sonicated), Chloroform (Slightly), Methanol (Slightly, Sonicated 
  • XLogP3:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Rotatable Bond Count:6
  • Exact Mass:370.14163842
  • Heavy Atom Count:27
  • Complexity:706
Purity/Quality:

98%,99%, *data from raw suppliers

beta,beta-Dimethylacrylshikonin *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
  • Safety Statements: 22-24/25 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C
  • Isomeric SMILES:CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C
  • Uses (β, β-Dimethylacryl)shikonin is a useful compound in the discovery and study of FFA4 agonists from Arnebia euchroma.
Technology Process of beta,beta-Dimethylacrylshikonin

There total 2 articles about beta,beta-Dimethylacrylshikonin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
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