TRANS-3-BENZYLOXY-4-METHOXY-BETA-NITROSTYRENE

Base Information

• Chemical Name: TRANS-3-BENZYLOXY-4-METHOXY-BETA-NITROSTYRENE
• CAS No.: 63909-29-5
• Molecular Formula: C16H15NO4
• Molecular Weight: 285.299
• Hs Code.: 2909309090
• European Community (EC) Number: 622-966-8
• Nikkaji Number: J1.656.063D,J2.711.773B
• Mol file: 63909-29-5.mol

Synonyms:3-BENZYLOXY-4-METHOXY-B-NITROVINYLBENZENE;3-BENZYLOXY-4-METHOXY-B-NITROSTYRENE;3-BENZYLOXY-4-METHOXY-NITROSTYRENE;

Chemical Property of TRANS-3-BENZYLOXY-4-METHOXY-BETA-NITROSTYRENE

Chemical Property:

• Vapor Pressure: 6.99E-08mmHg at 25°C
• Melting Point: 128-131oC(lit.)
• Boiling Point: 450.5oC at 760 mmHg
• Flash Point: 191.8oC
• PSA: 64.28000
• Density: 1.212g/cm3
• LogP: 4.04480
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 285.10010796
• Heavy Atom Count: 21
• Complexity: 347

Purity/Quality:

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

trans-3-benzyloxy-4-methoxy-β-nitro-styrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=C[N+](=O)[O-])OCC2=CC=CC=C2
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=C/[N+](=O)[O-])OCC2=CC=CC=C2

Technology Process of TRANS-3-BENZYLOXY-4-METHOXY-BETA-NITROSTYRENE

There total 19 articles about TRANS-3-BENZYLOXY-4-METHOXY-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: 100.0%

3-methoxy-4-(phenylmethoxy)benzaldehyde (2426-87-1) + nitromethane (75-52-5) → 3-benzyloxy-4-methoxy-β-nitrostyrene (63909-29-5,55507-05-6)

Guidance literature:

With ammonium acetate; Heating;

Reference yield: 89.3%

nitromethane (75-52-5) + 3-benzyloxy-4-methoxybenzaldehyde (6346-05-0) → (E)-2-(benzyloxy)-1-methoxy-4-(2-nitrovinyl)benzene (63909-29-5)

Guidance literature:

With ammonium acetate; acetic acid; for 0.5h; Reflux;

DOI:10.1002/asia.201500611

Reference yield: 88.0%

nitromethane (75-52-5) + 3-benzyloxy-4-methoxybenzaldehyde (6346-05-0) → 3-benzyloxy-4-methoxy-β-nitrostyrene (63909-29-5,55507-05-6)

Guidance literature:

With ammonium acetate; acetic acid; for 4h; Heating;

DOI:10.1021/jm020831a

upstream raw materials:

nitromethane

3-benzyloxy-4-methoxybenzaldehyde

3-methoxy-4-(phenylmethoxy)benzaldehyde

isovanillin

Downstream raw materials:

6-(Benzyloxy)-7-methoxy-1,2,3,4-tetrahydroisoquinoline

N-(Boc)-3'-hydroxy-4'-methoxyphenethylamine

tert-butyl N-[2-(3-benzyloxy-4-methoxy-phenyl)ethyl]carbamate

2-(3-(benzyloxy)-2-fluorophenyl)-N-(3-(benzyloxy)-4-methoxyphenethyl)-N-methylacetamide