Musk tibetene

Base Information

• Chemical Name: Musk tibetene
• CAS No.: 145-39-1
• Molecular Formula: C13H18 N2 O4
• Molecular Weight: 266.297
• Hs Code.: 2904209090
• European Community (EC) Number: 205-651-6
• NSC Number: 78470
• UNII: CMN65165X5
• DSSTox Substance ID: DTXSID9044582
• Nikkaji Number: J12.977A
• Wikidata: Q27275538
• ChEMBL ID: CHEMBL3188624
• Mol file: 145-39-1.mol

Synonyms:2,6-dinitro-3,4,5-trimethyl-tert-butylbenzene;musk tibetene;musk tibetine

Chemical Property of Musk tibetene

Chemical Property:

• Vapor Pressure: 5.73E-06mmHg at 25°C
• Refractive Index: 1.6450 (estimate)
• Boiling Point: 391°Cat760mmHg
• Flash Point: 174.6°C
• PSA: 91.64000
• Density: 1.164g/cm³
• LogP: 4.77210
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 266.12665706
• Heavy Atom Count: 19
• Complexity: 338

Purity/Quality:

98%,99%, ^*data from raw suppliers

MUSK TIBETEN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C
• Uses: Musk tibetine is used as fragrance and fixative in after-shave lotions, perfumes, ete.

Technology Process of Musk tibetene

There total 2 articles about Musk tibetene 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: 93.0%

1,2,3-trimethyl-5-tert-butylbenzene (98-23-7) → 1-tert-butyl-4,3,5-trimethyl-2-amino-6-nitrobenzene (145-39-1)

Guidance literature:

With cupric nitrate trihydrate supported on K 10 montmorillonite clay; nitric acid; acetic anhydride; In tetrachloromethane; for 2h; Ambient temperature;

DOI:10.1021/jo00116a034

Reference yield:

→ 1-tert-butyl-4,3,5-trimethyl-2-amino-6-nitrobenzene (145-39-1)

Guidance literature:

With nitric acid;

DOI:10.1021/ja01855a037 DOI:10.1021/jo01168a016

Reference yield:

1-tert-butyl-4,3,5-trimethyl-2-amino-6-nitrobenzene (145-39-1) → amino musk tibetene

Guidance literature:

With ammonium formate; palladium; aluminium; In methanol; at 20 ℃;

DOI:10.1016/S0045-6535(99)00325-2

upstream raw materials:

1,2,3-trimethyl-5-tert-butylbenzene

Refernces

• 1、 Gigante, Barbara,Prazeres, Angela O.,Marcelo-Curto, Maria J.,Cornelis, Andre,Laszlo, Pierre. "Mild and Selective Nitration by "Claycop"". . p. 3445 - 3447. Retrieved 2007/10/02.