4-Benzyloxy-5-methoxy-2-nitrotoluene

Base Information

• Chemical Name: 4-Benzyloxy-5-methoxy-2-nitrotoluene
• CAS No.: 121086-26-8
• Molecular Formula: C15H15 N O4
• Molecular Weight: 273.288
• DSSTox Substance ID: DTXSID10394765
• Wikidata: Q82194367
• Mol file: 121086-26-8.mol

Synonyms:4-BENZYLOXY-5-METHOXY-2-NITROTOLUENE;121086-26-8;1-methoxy-5-methyl-4-nitro-2-phenylmethoxybenzene;1-(Benzyloxy)-2-methoxy-4-methyl-5-nitrobenzene;SCHEMBL21070850;DTXSID10394765;FT-0662949

Chemical Property of 4-Benzyloxy-5-methoxy-2-nitrotoluene

Chemical Property:

• Melting Point: 122-124°C
• PSA: 64.28000
• LogP: 4.01400
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 273.10010796
• Heavy Atom Count: 20
• Complexity: 312

Purity/Quality:

97% ^*data from raw suppliers

4-Benzyloxy-5-methoxy-2-nitrotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])OCC2=CC=CC=C2)OC
• Uses: A substituted nitrotoluene.

Technology Process of 4-Benzyloxy-5-methoxy-2-nitrotoluene

There total 7 articles about 4-Benzyloxy-5-methoxy-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: 95.0%

1-(benzyloxy)-2-methoxy-4-methylbenzene (78136-55-7) → 1-benzyloxy-2-methoxy-4-methyl-5-nitrobenzene (121086-26-8)

Guidance literature:

With nitric acid; acetic acid; at 4 - 6 ℃; for 3h;

Reference yield:

2-Methoxy-4-methylphenol (93-51-6) → 1-benzyloxy-2-methoxy-4-methyl-5-nitrobenzene (121086-26-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / K₂CO₃ / ethanol / Heating

2: 90 percent / concd. HNO₃ / acetic acid / 2 h / 4 - 6 °C

With nitric acid; potassium carbonate; In ethanol; acetic acid;

DOI:10.1021/jm00107a030

Reference yield:

benzyl chloride (100-44-7) → 1-benzyloxy-2-methoxy-4-methyl-5-nitrobenzene (121086-26-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / K₂CO₃ / ethanol / Heating

2: 90 percent / concd. HNO₃ / acetic acid / 2 h / 4 - 6 °C

With nitric acid; potassium carbonate; In ethanol; acetic acid;

DOI:10.1021/jm00107a030

upstream raw materials:

1-(benzyloxy)-2-methoxy-4-methylbenzene

nitric acid

acetic acid

2-Methoxy-4-methylphenol

Downstream raw materials:

2-methoxy-4-methyl-5-nitrophenol

(RS)-1-<2-amino-4-(benzyloxy)-5-methoxybenzyl>-2-methyl-1,2,3,4-tetrahydroisoquinoline dihydrochloride

(RS)-10-(benzyloxy)-9-methoxyaporphine hydrochloride

1-<4-(benzyloxy)-5-methoxy-2-nitrobenzal>-2-methyl-1,2,3,4-tetrahydroisoquinoline

Refernces

• 1、 Cannon, Joseph G.,Qijie, Pang. "Isomeric Monomethyl Ether Derivatives of (RS)-9,10-Dihydroxyaporphine ("Isoapomorphine") as Possible Products of Metabolism by Catechol-O-methyltransferase". . p. 1079 - 1082. Retrieved 2007/10/02.