2-Benzyloxy-trans-beta-nitrostyrene

Base Information

• Chemical Name: 2-Benzyloxy-trans-beta-nitrostyrene
• CAS No.: 40276-09-3
• Molecular Formula: C15H13NO3
• Molecular Weight: 255.273
• Hs Code.: 2909309090
• European Community (EC) Number: 623-824-8
• Nikkaji Number: J2.764.117B,J2.304.790J
• Mol file: 40276-09-3.mol

Synonyms:2-Benzyloxy-trans-beta-nitrostyrene;40276-09-3;1-(Benzyloxy)-2-[(E)-2-nitroethenyl]benzene;(E)-1-(Benzyloxy)-2-(2-nitrovinyl)benzene;Oprea1_171795;beta-Nitro-2-(benzyloxy)styrene;ANM103186;STL506528;2-Benzyloxy-trans- beta -nitrostyrene;AKOS002344530;AKOS015912955;1-(benzyloxy)-2-(2-nitroethenyl)benzene;2-Benzyloxy-trans-beta-nitrostyrene, 97%

Chemical Property of 2-Benzyloxy-trans-beta-nitrostyrene

Chemical Property:

• Vapor Pressure: 1.11E-06mmHg at 25°C
• Melting Point: 71-75oC(lit.)
• Boiling Point: 413.9oC at 760 mmHg
• Flash Point: 179.9oC
• PSA: 55.05000
• Density: 1.207g/cm3
• LogP: 4.03620
• XLogP3: 2.8
• 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:

98%,99%, ^*data from raw suppliers

2-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=C2C=C[N+](=O)[O-]
• Isomeric SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2/C=C/[N+](=O)[O-]

Technology Process of 2-Benzyloxy-trans-beta-nitrostyrene

There total 4 articles about 2-Benzyloxy-trans-beta-nitrostyrene 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: 91.0%

nitromethane (75-52-5) + 2-(phenylmethoxy)benzaldehyde (5896-17-3) → 2-(benzyloxy)-β-nitrostyrene (40276-09-3)

Guidance literature:

With ammonium acetate; In acetic acid; for 1.5h; Heating;

DOI:10.1021/jo951439q

Reference yield: 84.0%

nitromethane (75-52-5) + 2-(phenylmethoxy)benzaldehyde (5896-17-3) → (E)-1-(benzyloxy)-2-(2-nitrovinyl)benzene (40276-09-3)

Guidance literature:

With ammonium acetate; In acetic acid;

DOI:10.1016/j.tetlet.2006.05.044

Reference yield:

benzyl bromide (100-39-0) → 2-(benzyloxy)-β-nitrostyrene (40276-09-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / K₂CO₃ / ethanol / Heating

2: 91 percent / NH₄OAc / acetic acid / 1.5 h / Heating

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

DOI:10.1021/jo951439q

upstream raw materials:

nitromethane

2-(phenylmethoxy)benzaldehyde

benzyl bromide

salicylaldehyde

Downstream raw materials:

β-(2'-Benzyloxyphenyl)-γ-nitro-buttersaeure-N,N-dimethylamid

3-(2-Benzyloxyphenyl)-2,N,N-trimethyl-4-nitrobutyramid

1-Benzyloxy-2-(2-nitro-ethyl)-benzene

4-(2-benzyloxybenzyl)-6-(benzyloxyphenyl)-5,6-dihydro-2H-[1,3]oxazine