Musk ambrette

Base Information

• Chemical Name: Musk ambrette
• CAS No.: 83-66-9
• Molecular Formula: C12H16N2O5
• Molecular Weight: 268.269
• Hs Code.: 2909309090
• European Community (EC) Number: 201-493-7
• NSC Number: 59845,46122
• UN Number: 2811
• UNII: 55V150W8R6
• DSSTox Substance ID: DTXSID7025689
• Nikkaji Number: J11.610F
• Wikidata: Q26841326
• Metabolomics Workbench ID: 123389
• ChEMBL ID: CHEMBL1373568
• Mol file: 83-66-9.mol

Synonyms:2-methoxy-3,5-dinitro-4-methyl-t-butylbenzene;musk ambrette;musk ambrette (artificial)

Chemical Property of Musk ambrette

Chemical Property:

• Appearance/Colour: pale yellow liquid
• Vapor Pressure: 2.54E-05mmHg at 25°C
• Melting Point: 84-86 °C
• Refractive Index: 1.541
• Boiling Point: 369.3 °C at 760 mmHg
• Flash Point: 149.6 °C
• PSA: 100.87000
• Density: 1.218 g/cm³
• LogP: 4.16390
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 268.10592162
• Heavy Atom Count: 19
• Complexity: 355
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

MuskAmbrette(Artificial) ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB,Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-]
• Uses: Musk Ambrette is an artificial human musk used in cosmetics as well as in the treatments of wastewaters.

Technology Process of Musk ambrette

There total 13 articles about Musk ambrette 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: 86.0%

2-tert-butyl-5-methylanisole (88-40-4) → musk ambrette (83-66-9)

Guidance literature:

With sulfuric acid; nitric acid; In dichloromethane; at -5 ℃; for 0.05h; Temperature;

Reference yield: 46.0%

2-tert-butyl-5-methylanisole (88-40-4) → musk ambrette (83-66-9) + 5-methoxy-2,4-dinitrotoluene (3606-21-1)

Guidance literature:

With Nitrogen dioxide; ozone; In hexane; at -10 ℃; for 1h;

DOI:10.1055/s-1999-3544

Reference yield:

2-tert-butyl-5-methyl-4-nitro-anisole (71850-79-8) → musk ambrette (83-66-9) + 5-methoxy-2,4-dinitrotoluene (3606-21-1)

Guidance literature:

With nitric acid; at -5 ℃;

upstream raw materials:

2-tert-butyl-5-methylanisole

2-tert-butyl-5-methyl-4-nitro-anisole

dimethyl sulfate

nitric acid

Downstream raw materials:

1-tert-butyl-2,4-dimethyl-3-amino-6-methoxy-5-nitrobenzene

2-tert-Butyl-6-(5-tert-butyl-4-methoxy-2-methyl-3-nitro-phenylazo)-3-methoxy-5-methyl-4-nitro-phenol

Refernces

• 1、 Safaei-Ghomi, Javad,Bamoniri, Abdolhamid. "Modified and convenient methods for the preparation of some nitro musks". . p. 188 - 191. Retrieved 2007/10/03.