Protokylol

Base Information

• Chemical Name: Protokylol
• CAS No.: 136-70-9
• Molecular Formula: C₁₈H₂₁NO₅
• Molecular Weight: 331.368
• European Community (EC) Number: 205-255-3
• UNII: 8Y5Y4EEO2V
• DSSTox Substance ID: DTXSID20861796
• Nikkaji Number: J10.011K
• Wikipedia: Protokylol
• Wikidata: Q7252009
• NCI Thesaurus Code: C74198
• Pharos Ligand ID: 114QK6SKCQVA
• Metabolomics Workbench ID: 150005
• ChEMBL ID: CHEMBL1201273
• Mol file: 136-70-9.mol

Synonyms:alpha-(alpha-methyl-3,4-methylenedioxyphenethylamino)methyl protocatechuyl alcohol;caytine;protokylol;protokylol hydrochloride

Chemical Property of Protokylol

Chemical Property:

• Vapor Pressure: 1.57E-14mmHg at 25°C
• Melting Point: 126-127 °C
• Boiling Point: 585°C at 760 mmHg
• PKA: 9.59±0.10(Predicted)
• Flash Point: 307.6°C
• PSA: 91.18000
• Density: 1.336g/cm³
• LogP: 2.47160
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 331.14197277
• Heavy Atom Count: 24
• Complexity: 396

Purity/Quality:

98%Min ^*data from raw suppliers

PROTOKYLOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)O)O

Technology Process of Protokylol

There total 1 articles about Protokylol 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:

Reference yield:

→ Protokylol (136-70-9,13450-61-8)

Guidance literature:

With ethanol; platinum; Hydrogenation;

DOI:10.1021/ja01641a010