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Allenolic acid

Base Information Edit
  • Chemical Name:Allenolic acid
  • CAS No.:553-39-9
  • Molecular Formula:C13H12O3
  • Molecular Weight:216.236
  • Hs Code.:2918199090
  • NSC Number:60458
  • UNII:I2MQT1CC3H
  • DSSTox Substance ID:DTXSID10203823
  • Nikkaji Number:J11.552E
  • Wikipedia:Allenolic_acid
  • Wikidata:Q27116133
  • Mol file:553-39-9.mol
Allenolic acid

Synonyms:2-naphthalenepropanoic acid, 6-hydroxy-;allenolic acid

Suppliers and Price of Allenolic acid
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
  • American Custom Chemicals Corporation
  • ALLENOLIC ACID 95.00%
  • 5MG
  • $ 495.61
Total 3 raw suppliers
Chemical Property of Allenolic acid Edit
Chemical Property:
  • Vapor Pressure:8.16E-09mmHg at 25°C 
  • Melting Point:180-181° 
  • Refractive Index:1.5090 (estimate) 
  • Boiling Point:448.1°Cat760mmHg 
  • PKA:4.55±0.10(Predicted) 
  • Flash Point:238.9°C 
  • PSA:57.53000 
  • Density:1.303g/cm3 
  • LogP:2.56260 
  • XLogP3:2.6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:3
  • Exact Mass:216.078644241
  • Heavy Atom Count:16
  • Complexity:252
Purity/Quality:

99% *data from raw suppliers

ALLENOLIC ACID 95.00% *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CC2=C(C=CC(=C2)O)C=C1CCC(=O)O
  • Uses In biochemical research, in the preparation of estrogenic Compounds.
Technology Process of Allenolic acid

There total 6 articles about Allenolic acid 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:
Guidance literature:
With hydrogen; palladium on activated charcoal; In tetrahydrofuran; for 3.5h; under 2068.59 Torr;
DOI:10.1002/anie.200502675
Guidance literature:
Multi-step reaction with 2 steps
1: NaHCO3 / (PPh3)2PdCl2 / 1-methyl-pyrrolidin-2-one / 13 h / 130 °C
2: H2 / Pd/C / tetrahydrofuran / 3.5 h / 2068.59 Torr
With hydrogen; sodium hydrogencarbonate; bis-triphenylphosphine-palladium(II) chloride; palladium on activated charcoal; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one;
DOI:10.1002/anie.200502675
Guidance literature:
C14H14O3; With methanol; sodium hydroxide; water; In tetrahydrofuran; for 6h;
With hydrogenchloride; In tetrahydrofuran; water; pH=7;
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