Primin

Base Information

• Chemical Name: Primin
• CAS No.: 15121-94-5
• Molecular Formula: C12H16 O3
• Molecular Weight: 208.257
• Hs Code.: 2933199011
• European Community (EC) Number: 604-781-4
• UNII: 580KA9SG8W
• DSSTox Substance ID: DTXSID20164734
• Nikkaji Number: J93.209D
• Wikidata: Q20054545
• Metabolomics Workbench ID: 53380
• ChEMBL ID: CHEMBL451919
• Mol file: 15121-94-5.mol

Synonyms:2-methoxy-6-n-pentyl-p-benzoquinone;primin

Chemical Property of Primin

Chemical Property:

• Vapor Pressure: 0.000398mmHg at 25°C
• Melting Point: 77-79℃
• Boiling Point: 316.9°Cat760mmHg
• Flash Point: 137.7°C
• PSA: 43.37000
• Density: 1.06g/cm³
• LogP: 2.17520
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 324

Purity/Quality:

≥98% ^*data from raw suppliers

Primin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC(=O)C=C(C1=O)OC
• Description: Primin is the allergen of Primula obconica. Occupational contact dermatitis occurs mainly in florists and horticulturists.
• Uses: Primin can be prepared to use for SAR docking and antioxidant activity due to the activity of COX/5-LOX inhibitors with quinone and resorcinol core. It can also be used for its cytotoxic mechanisms toward human acute lymphoblastic leukemia, multiple myeloma and acute myeloid leukemia cells.

Technology Process of Primin

There total 37 articles about Primin 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: 92.0%

1-O-methyl-3-n-pentylcatechol (15116-11-7) → primine (15121-94-5)

Guidance literature:

With disodium hydrogen phosphate monohydrate; potassium nitrososulfonate; Aliquat 336; In dichloromethane; water;

Reference yield: 91.0%

1,3-dimethoxy-5-pentylbenzene (22976-40-5) → primine (15121-94-5)

Guidance literature:

With chromium(VI) oxide; acetic acid; In water; at 50 ℃;

DOI:10.1016/j.tet.2017.07.029

Reference yield: 91.0%

2-methoxy-6-pentyl-1,4-hydroquinone (34272-58-7) → primine (15121-94-5)

Guidance literature:

With air; for 1h;

upstream raw materials:

1,3-dimethoxy-5-pentylbenzene

1-O-methyl-3-n-pentylcatechol

2-methoxy-1,4-benzoquinone

hexanoic acid

Downstream raw materials:

2-methoxy-6-pentyl-1,4-hydroquinone

Triacetyl-hydroxy-miconidin

2-hydroxy-5-methoxy-3-pentylcyclohexa-2,5-diene-1,4-dione