o-Methyl o-naphthalen-1-yl o-(4-nitrophenyl) phosphorothioate

Base Information

• Chemical Name: o-Methyl o-naphthalen-1-yl o-(4-nitrophenyl) phosphorothioate
• CAS No.: 68150-94-7
• Molecular Formula: C17H14NO5PS
• Molecular Weight: 375.3355
• DSSTox Substance ID: DTXSID80987648
• Mol file: 68150-94-7.mol

Synonyms:methyl-1-naphthyl-4-nitrophenyl phosphorothionate;methyl-1-naphthyl-4-nitrophenyl phosphorothionate, (+)-isomer;methyl-1-naphthyl-para-nitrophenyl phosphorothionate;MNNPPT

Chemical Property of o-Methyl o-naphthalen-1-yl o-(4-nitrophenyl) phosphorothioate

Chemical Property:

• Vapor Pressure: 6.59E-10mmHg at 25°C
• Boiling Point: 507.2°Cat760mmHg
• Flash Point: 260.5°C
• Density: 1.41g/cm³
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 375.03303072
• Heavy Atom Count: 25
• Complexity: 506

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COP(=S)(OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=CC3=CC=CC=C32

Technology Process of o-Methyl o-naphthalen-1-yl o-(4-nitrophenyl) phosphorothioate

There total 4 articles about o-Methyl o-naphthalen-1-yl o-(4-nitrophenyl) phosphorothioate 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:

(+)-O-Methyl-O-.alfa.-naphthylthiophosphonsaeure (germ. ) (22601-77-0,46501-98-8,48154-37-6) → (-)-Methyl-1-naphthyl-p-nitrophenylphosphorthionat (68150-94-7)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₅

2: NaH

With phosphorus pentachloride; sodium hydride;

DOI:10.1016/0040-4020(78)88147-2

Reference yield:

(-)-O-Methyl-O-1-naphthyl-phosphoro-thionsaeure (22601-77-0,46501-98-8,48154-37-6) → (+)-Methyl-1-naphthyl-p-nitrophenylphosphorthionat (68150-94-7)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₅

2: NaH

With phosphorus pentachloride; sodium hydride;

DOI:10.1016/0040-4020(78)88147-2

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + (+)-O-Methyl-O-1-naphthyl-phosphoro-chlorido-thionat (58293-34-8,58293-35-9) → (+)-Methyl-1-naphthyl-p-nitrophenylphosphorthionat (68150-94-7)

Guidance literature:

With sodium hydride;

DOI:10.1016/0040-4020(78)88147-2

upstream raw materials:

4-nitro-phenol

(+)-O-Methyl-O-1-naphthyl-phosphoro-chlorido-thionat

(-)-O-Methyl-O-1-naphthyl-phosphoro-thionsaeure

(-)-O-Methyl-O-1-naphthyl-phosphoro-chlorido-thionat