Naproxen isocyanate

Base Information

• Chemical Name: Naproxen isocyanate
• CAS No.: 125836-70-6
• Molecular Formula: C₁₄H₁₃NO₂
• Molecular Weight: 227.263
• DSSTox Substance ID: DTXSID00154956
• Mol file: 125836-70-6.mol

Synonyms:naproxen isocyanate

Chemical Property of Naproxen isocyanate

Chemical Property:

• Vapor Pressure: 2.95E-05mmHg at 25°C
• Boiling Point: 356.3°C at 760 mmHg
• Flash Point: 159.9°C
• PSA: 38.66000
• Density: 1.09g/cm³
• LogP: 3.24520
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 227.094628657
• Heavy Atom Count: 17
• Complexity: 299

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)N=C=O
• Isomeric SMILES: C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)N=C=O

Technology Process of Naproxen isocyanate

There total 1 articles about Naproxen isocyanate 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:

(2S)-2-(6-methoxy(2-naphthyl))propanoic acid (22204-53-1) → 2-((S)-1-Isocyanato-ethyl)-6-methoxy-naphthalene (125836-70-6)

Guidance literature:

With TEA; diphenyl-phosphinic acid; In benzene; at 90 ℃; for 1h;

DOI:10.1021/jm9606150

Reference yield:

2-((S)-1-Isocyanato-ethyl)-6-methoxy-naphthalene (125836-70-6) → [(S)-1-(6-Methoxy-naphthalen-2-yl)-ethyl]-[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-amine

Guidance literature:

Multi-step reaction with 3 steps

1: benzene / 1 h / Heating

2: 4 N aq. HCl / dioxane / 1 h / Ambient temperature

3: Na₂CO₃ / methanol / 18 h

With hydrogenchloride; sodium carbonate; In 1,4-dioxane; methanol; benzene;

DOI:10.1021/jm9606150

Reference yield:

2-((S)-1-Isocyanato-ethyl)-6-methoxy-naphthalene (125836-70-6) → 2-[(S)-1-(6-Methoxy-naphthalen-2-yl)-ethyl]-3-(4-methoxy-phenyl)-oxaziridine

Guidance literature:

Multi-step reaction with 4 steps

1: benzene / 1 h / Heating

2: 4 N aq. HCl / dioxane / 1 h / Ambient temperature

3: Na₂CO₃ / methanol / 18 h

4: 85percent m-chloroperbenzoic acid / CH₂Cl₂ / 8 h / Heating

With hydrogenchloride; sodium carbonate; 3-chloro-benzenecarboperoxoic acid; In 1,4-dioxane; methanol; dichloromethane; benzene;

DOI:10.1021/jm9606150

upstream raw materials:

(2S)-2-(6-methoxy(2-naphthyl))propanoic acid

Refernces