5C-aglycone

Base Information Edit

Chemical Name:5C-aglycone
CAS No.:34927-45-2
Molecular Formula:C₁₆H₁₆O₄
Molecular Weight:272.301
Hs Code.:2918300090
DSSTox Substance ID:DTXSID30865740
Nikkaji Number:J3.192.161I
Wikidata:Q27161680
Metabolomics Workbench ID:38546
ChEMBL ID:CHEMBL3402209
Mol file:34927-45-2.mol

Synonyms:2-methyl-3-(3'-carboxy-3'-methylpropyl)-1,4-naphthoquinone;phylloquinone aglycone II;vitamin K1 aglycone II

Suppliers and Price of 5C-aglycone

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

TRC
2-Methyl-3-(3''-carboxybutyl)-1,4-naphthoquinone
25mg
$ 1540.00

Medical Isotopes, Inc.
2-Methyl-3-(3??-carboxybutyl)-1,4-naphthoquinone
2.5 mg
$ 675.00

Total 1 raw suppliers

Chemical Property of 5C-aglycone Edit

Chemical Property:

Vapor Pressure:9.91E-10mmHg at 25°C
Boiling Point:472.4°Cat760mmHg
Flash Point:253.6°C
PSA：71.44000
Density:1.234g/cm³
LogP:2.88300
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:272.10485899
Heavy Atom Count:20
Complexity:475

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-3-(3''-carboxybutyl)-1,4-naphthoquinone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=O)C2=CC=CC=C2C1=O)CCC(C)C(=O)O
Uses 2-Methyl-3-(3''-carboxybutyl)-1,4-naphthoquinone is a metabollite of Vitamin K2, mainly MK-4 (M218595), known as a hemostatic agent and is used as adjunctive therapy for the pain of osteoporosis.

Technology Process of 5C-aglycone

There total 12 articles about 5C-aglycone 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: 84.0%

: 2-methyl-3-(4′-hydroxy-3′-methylbutyl)-1,4-naphthoquinone

: 34927-45-2
2-methyl-3-(3′,3′-carboxymethylpropyl)-1,4-naphthoquinone

Guidance literature:: With oxone; In N,N-dimethyl-formamide; at 20 ℃; for 2.5h; Inert atmosphere;
DOI:10.1055/s-0034-1380002

Reference yield: 47.0%

: diethyl-2-methyl-2-(2-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)ethyl)malonate

: 34927-45-2
2-methyl-3-(3′,3′-carboxymethylpropyl)-1,4-naphthoquinone

Guidance literature:: diethyl-2-methyl-2-(2-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)ethyl)malonate; With hydrogenchloride; acetic acid; In water; at 100 ℃; for 3h;

With 1,1'-carbonyldiimidazole; In acetonitrile; for 1h;