1-(Benzyloxy)-2-methyl-3-nitrobenzene

Base Information

• Chemical Name: 1-(Benzyloxy)-2-methyl-3-nitrobenzene
• CAS No.: 20876-37-3
• Molecular Formula: C14H13NO3
• Molecular Weight: 243.262
• Hs Code.: 29093090
• NSC Number: 158558
• DSSTox Substance ID: DTXSID00303487
• Nikkaji Number: J31.993G
• Wikidata: Q72442413
• Mol file: 20876-37-3.mol

Synonyms:20876-37-3;1-Benzyloxy-2-methyl-3-nitrobenzene;1-(Benzyloxy)-2-methyl-3-nitrobenzene;2-methyl-1-nitro-3-phenylmethoxybenzene;2-benzyloxy-6-nitrotoluene;Benzene, 2-methyl-1-nitro-3-(phenylmethoxy)-;MFCD00100652;6-Benzyloxy-2-nitrotoluene;Benzyl 3-nitro-o-tolyl ether;NSC158558;Maybridge1_002032;Oprea1_104390;AMY777;SCHEMBL1141905;HMS547E08;DTXSID00303487;PBSZHNXXFIYDBU-UHFFFAOYSA-N;AKOS015839411;3-Nitro-2-Methyl Phenol Benzyl Ether;CCG-235236;DS-0847;NSC-158558;SY024517;1-(Benzyloxy)-2-methyl-3-nitrobenzene #;1-Benzyloxy-2-methyl-3-nitrobenzene, 98%;CS-0153506;FT-0638056;F11590;A814998;J-013697;Ethyl4-chloro-5-methyl-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Chemical Property of 1-(Benzyloxy)-2-methyl-3-nitrobenzene

Chemical Property:

• Vapor Pressure: 1.05E-05mmHg at 25°C
• Melting Point: 60-63 °C(lit.)
• Refractive Index: 1.595
• Boiling Point: 382.238 °C at 760 mmHg
• Flash Point: 165.245 °C
• PSA: 55.05000
• Density: 1.203 g/cm³
• LogP: 4.00540
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.2
• 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:

97% ^*data from raw suppliers

1-Benzyloxy-2-methyl-3-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC=C1OCC2=CC=CC=C2)[N+](=O)[O-]

Technology Process of 1-(Benzyloxy)-2-methyl-3-nitrobenzene

There total 6 articles about 1-(Benzyloxy)-2-methyl-3-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: 100.0%

3-nitro-o-cresol (5460-31-1) + benzyl bromide (100-39-0) → 2-benzyloxy-6-nitrotoluene (20876-37-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

Reference yield: 100.0%

benzyl bromide (100-39-0) → 2-benzyloxy-6-nitrotoluene (20876-37-3)

Guidance literature:

3-nitro-o-cresol; With potassium carbonate; In N,N-dimethyl-formamide;

benzyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

Reference yield: 94.0%

3-nitro-o-cresol (5460-31-1) + benzyl chloride (100-44-7) → 2-benzyloxy-6-nitrotoluene (20876-37-3)

Guidance literature:

With sodium ethanolate; In ethanol; for 8h; Heating;

DOI:10.1002/ardp.19883210812

upstream raw materials:

3-nitro-o-cresol

benzyl bromide

benzyl chloride

3-nitro-o-tolylamine

Downstream raw materials:

4-benzyloxylindole-2-carboxylic acid

4-benzyloxy-1H-indole

2-(benzyloxy)-6-nitro-2'-piperidinostyrene

2-benzyloxy-6-nitro-trans-β-dimethylaminostyrene