1-[(Z)-2-nitroethenyl]-3-phenylmethoxybenzene

Base Information

• Chemical Name: 1-[(Z)-2-nitroethenyl]-3-phenylmethoxybenzene
• CAS No.: 24550-32-1
• Molecular Formula: C15H13 N O3
• Molecular Weight: 255.273
• Hs Code.: 2909309090
• NSC Number: 101662
• Mol file: 24550-32-1.mol

Synonyms:1-[(Z)-2-nitroethenyl]-3-phenylmethoxybenzene;NSC101662;AKOS004907215;NSC-101662

Chemical Property of 1-[(Z)-2-nitroethenyl]-3-phenylmethoxybenzene

Chemical Property:

• Vapor Pressure: 8.36E-07mmHg at 25°C
• Melting Point: 93-97oC(lit.)
• Boiling Point: 417.8°C at 760 mmHg
• Flash Point: 182.3°C
• PSA: 55.05000
• Density: 1.207g/cm³
• LogP: 4.03620
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 255.08954328
• Heavy Atom Count: 19
• Complexity: 305

Purity/Quality:

99% ^*data from raw suppliers

3-Benzyloxy-trans-β-nitrostyrene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 41-51/53
• Safety Statements: 26-36/37/39-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)C=C[N+](=O)[O-]
• Isomeric SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C\[N+](=O)[O-]

Technology Process of 1-[(Z)-2-nitroethenyl]-3-phenylmethoxybenzene

There total 8 articles about 1-[(Z)-2-nitroethenyl]-3-phenylmethoxybenzene 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: 89.0%

nitromethane (75-52-5) + 3-Benzyloxybenzaldehyde (1700-37-4) → 1-(benzyloxy)-3-[(E)-2-nitroethenyl]benzene (24550-32-1)

Guidance literature:

With ammonium acetate; acetic acid; at 100 ℃; for 6h;

Reference yield:

meta-hydroxybenzaldehyde (100-83-4) → 1-(benzyloxy)-3-[(E)-2-nitroethenyl]benzene (24550-32-1)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / dimethylformamide

2: NH₄OAc; AcOH

With ammonium acetate; potassium carbonate; acetic acid; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2003.10.026

Reference yield:

benzyl chloride (100-44-7) → 1-(benzyloxy)-3-[(E)-2-nitroethenyl]benzene (24550-32-1)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / ethanol / Heating

2: NH₄OAc; AcOH / Heating

With ammonium acetate; potassium carbonate; acetic acid; In ethanol;

DOI:10.1021/jm020831a

upstream raw materials:

benzyl chloride

meta-hydroxybenzaldehyde

nitromethane

benzyl bromide

Downstream raw materials:

ethyl [β-(3-benzyloxy)phenethylamino]-oxobutanoate

8-benzyloxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-3-one

8-(4-fluorobenzyloxy)-1,2,3,5,6,10a-hexahydropyrrolo[2,1-a]isoquinolin-3-one

C₂₀H₂₀N₂O₃