Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide

Base Information

• Chemical Name: Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide
• CAS No.: 4600-20-8
• Molecular Formula: C₁₄H₁₃N₂O₂PS
• Molecular Weight: 304.309
• NSC Number: 88383
• DSSTox Substance ID: DTXSID60293294
• Mol file: 4600-20-8.mol

Synonyms:4600-20-8;NSC88383;methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide;NCIOpen2_009721;DTXSID60293294;NSC-88383

Chemical Property of Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide

Chemical Property:

• Vapor Pressure: 1.26E-08mmHg at 25°C
• Boiling Point: 459.5°C at 760 mmHg
• Flash Point: 231.7°C
• Density: 1.4g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 304.04353583
• Heavy Atom Count: 20
• Complexity: 425

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(C=C1)NP(=S)(N2)C3=CC=CC=C3

Technology Process of Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide

There total 1 articles about Methyl 2-phenyl-2,3-dihydro-1h-1,3,2-benzodiazaphosphole-5-carboxylate 2-sulfide 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:

Methyl 3,4-diaminobenzoate (36692-49-6) + phenylthiophosphonic acid dichloride (3497-00-5) → 2-phenyl-2-thioxo-2,3-dihydro-1H-2λ5-benzo[1,3,2]diazaphosphole-5-carboxylic acid methyl ester (4600-20-8)

Guidance literature:

With triethylamine; In toluene;

DOI:10.1139/v65-469

upstream raw materials:

Methyl 3,4-diaminobenzoate

phenylthiophosphonic acid dichloride

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