4-Benzyloxy-2-nitrotoluene

Base Information

• Chemical Name: 4-Benzyloxy-2-nitrotoluene
• CAS No.: 24239-67-6
• Molecular Formula: C14H13NO3
• Molecular Weight: 243.262
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID70384263
• Wikidata: Q82176259
• Mol file: 24239-67-6.mol

Synonyms:4-Benzyloxy-2-nitrotoluene;24239-67-6;4-(benzyloxy)-1-methyl-2-nitrobenzene;1-methyl-2-nitro-4-phenylmethoxybenzene;MFCD00100651;SCHEMBL1240906;DTXSID70384263;DGMVXGHRFDVQHC-UHFFFAOYSA-N;4-Benzyloxy-1-methyl-2-nitrobenzene;AB03401;CCG-235163;AC-30543;AS-58953;SY025662;CS-0153548;FT-0662975;Y13511;A877987;SR-01000003374;J-514499;SR-01000003374-1

Chemical Property of 4-Benzyloxy-2-nitrotoluene

Chemical Property:

• Vapor Pressure: 6.47E-06mmHg at 25°C
• Melting Point: 60-62oC
• Boiling Point: 389.3oC at 760 mmHg
• Flash Point: 169.7oC
• PSA: 55.05000
• Density: 1.202g/cm3
• LogP: 4.00540
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMF
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 243.08954328
• Heavy Atom Count: 18
• Complexity: 271

Purity/Quality:

99.3% ^*data from raw suppliers

4-Benzyloxy-2-nitrotoluene ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 24/25-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

Technology Process of 4-Benzyloxy-2-nitrotoluene

There total 3 articles about 4-Benzyloxy-2-nitrotoluene 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: 100.0%

4-methyl-5-nitrophenol (2042-14-0) + benzyl bromide (100-39-0) → 4-(benzyloxy)-1-methyl-2-nitrobenzene (24239-67-6)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 18h;

DOI:10.1021/jo701987r

Reference yield: 95.0%

4-methyl-5-nitrophenol (2042-14-0) + benzyl chloride (100-44-7) → 4-(benzyloxy)-1-methyl-2-nitrobenzene (24239-67-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 4h;

DOI:10.1016/0040-4020(96)00372-9

Reference yield:

→ 4-(benzyloxy)-1-methyl-2-nitrobenzene (24239-67-6)

Guidance literature:

2-Nitro-4-hydroxy-toluol, methanol. Na-Methylat, Benzylchlorid, Siedetemp., 15 Std.;

upstream raw materials:

4-methyl-5-nitrophenol

benzyl chloride

benzyl bromide

Downstream raw materials:

4-benzyloxy-2-nitrobenzaldehyde

2-amino-4-(benzyloxy)benzoic acid

6-hydroxy-indoline

Refernces

• 1、 Zhang, Huijun,Fang, Xiong,Meng, Qian,Mao, Yujia,Xu, Yan,Fan, Tingting,An, Jing,Huang, Ziwei. "Design, synthesis and characterization of potent microtubule inhibitors with dual anti-proliferative and anti-angiogenic activities". supporting information. p. 380 - 396. Retrieved 2018/08/17.
• 2、 -. "SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF". Paragraph 0483-0485. . Retrieved 2017/09/25.