1,2,3-Trimethoxy-5-nitrobenzene

Base Information

• Chemical Name: 1,2,3-Trimethoxy-5-nitrobenzene
• CAS No.: 6307-90-0
• Molecular Formula: C9H11NO5
• Molecular Weight: 213.19
• European Community (EC) Number: 622-155-9
• NSC Number: 43302
• DSSTox Substance ID: DTXSID00285951
• Nikkaji Number: J60.161F
• Wikidata: Q82021507
• Mol file: 6307-90-0.mol

Synonyms:1,2,3-Trimethoxy-5-nitrobenzene;6307-90-0;MFCD00066316;NSC43302;3,4,5-Trimethoxynitrobenzol;3,4,5-trimethoxynitrobenzene;3,4,5-Trimethoxy-nitrobenzene;SCHEMBL6313062;DTXSID00285951;3,4,5-Trimethoxy-1-nitrobenzene;Nitrobenzene, 3,4,5-trimethoxy-;NSC-43302;STL497672;1,2,3-Trimethoxy-5-nitrobenzene #;AKOS001063492;AS-83068;CS-0315736;FT-0731766;E77699;SR-01000069016;SR-01000069016-1;Z89267036

Chemical Property of 1,2,3-Trimethoxy-5-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.000163mmHg at 25°C
• Melting Point: 96-97 °C
• Refractive Index: 1.521
• Boiling Point: 341.1 °C at 760 mmHg
• Flash Point: 159.2 °C
• PSA: 73.51000
• Density: 1.23 g/cm³
• LogP: 2.14380
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 213.06372245
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

99%, ^*data from raw suppliers

1,2,3-Trimethoxy-5-nitrobenzene 97% ^*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: COC1=CC(=CC(=C1OC)OC)[N+](=O)[O-]

Technology Process of 1,2,3-Trimethoxy-5-nitrobenzene

There total 21 articles about 1,2,3-Trimethoxy-5-nitrobenzene 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: 78.0%

Eudesmic acid (118-41-2) → 3,4,5-trimethoxy-1-nitrobenzene (6307-90-0)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); nitric acid; In acetonitrile; at 50 ℃; for 21h;

DOI:10.1021/ol0262901

Reference yield: 69.0%

3,4,5-Trimethoxyaniline (24313-88-0) → 3,4,5-trimethoxy-1-nitrobenzene (6307-90-0)

Guidance literature:

With tert.-butylhydroperoxide; 3 A molecular sieve; zirconium(IV) tert-butoxide; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1002/prac.19973390161

Reference yield: 46.0%

1,2,3-trimethoxybenzene (634-36-6) → 3,4,5-trimethoxy-1-nitrobenzene (6307-90-0)

Guidance literature:

With nitronium tetrafluoborate; In 1,2-dimethoxyethane; at -50 ℃;

DOI:10.1016/S0040-4020(98)00418-9

upstream raw materials:

methyl (3,4,5-trimethoxyphenyl) ketone

Eudesmic acid

1,2,3-trimethoxybenzene

3,4,5-Trimethoxyaniline

Downstream raw materials:

3,5-dimethoxy-4-ethoxynitrobenzene

Refernces

• 1、 Fang, Yu,Gao, Hang,Li, Ye,Qi, Yueheng,Qiang, Bingchao,Wang, Shuxia,Zhang, Huabei. "Design, synthesis, and biological evaluation of F-18-labelled 2, 4-diaminopyrimidine-type FAK-targeted inhibitors as potential tumour imaging agents". supporting information. . Retrieved 2020/08/12.
• 2、 Truong, Tran N. B.,Savagatrup, Suchol,Jeon, Intak,Swager, Timothy M.. "Modular synthesis of polymers containing 2,5-di(thiophenyl)-N-arylpyrrole". . p. 1133 - 1139. Retrieved 2018/03/27.