4-Chlorophenyl bis[(1H-1,2,4-triazol-1-yl)]phosphinate

Base Information

• Chemical Name: 4-Chlorophenyl bis[(1H-1,2,4-triazol-1-yl)]phosphinate
• CAS No.: 62420-37-5
• Molecular Formula: C10H8ClN6O2P
• Molecular Weight: 310.639
• DSSTox Substance ID: DTXSID50517991
• Wikidata: Q82380332

Synonyms:62420-37-5;4-Chlorophenyl bis[(1H-1,2,4-triazol-1-yl)]phosphinate;DTXSID50517991

Chemical Property of 4-Chlorophenyl bis[(1H-1,2,4-triazol-1-yl)]phosphinate

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 310.0134882
• Heavy Atom Count: 20
• Complexity: 361

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OP(=O)(N2C=NC=N2)N3C=NC=N3)Cl

Technology Process of 4-Chlorophenyl bis[(1H-1,2,4-triazol-1-yl)]phosphinate

There total 3 articles about 4-Chlorophenyl bis[(1H-1,2,4-triazol-1-yl)]phosphinate 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:

1,2,4-Triazole (288-88-0) + 4-chlorophenylphosphorodichloridate (772-79-2) → (p-chlorophenyl) di(1,2,4-triazolido)phosphate (62420-37-5)

Guidance literature:

With triethylamine; In 1,4-dioxane; 0 deg C, 10 min, then Rt, 1 h;

DOI:10.1248/cpb.29.759

Reference yield:

4-chloro-phenol (106-48-9,82344-39-6) → (p-chlorophenyl) di(1,2,4-triazolido)phosphate (62420-37-5)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate; triethylamine / tetrahydrofuran / 16 h / -80 - 4 °C

2: N-ethyl-N,N-diisopropylamine / acetonitrile / 0.5 h / 25 °C

With triethylamine; N-ethyl-N,N-diisopropylamine; trichlorophosphate; In tetrahydrofuran; acetonitrile;

DOI:10.1080/15257770.2017.1421765

Reference yield:

→ (p-chlorophenyl) di(1,2,4-triazolido)phosphate (62420-37-5)

Guidance literature:

1-H-1,2,4-Triazol, p-Chlorphenylphosphordichloridat;

DOI:10.1139/v74-551

upstream raw materials:

1,2,4-Triazole

4-chlorophenylphosphorodichloridate

4-chloro-phenol

Downstream raw materials:

[Carbamoyl-((3aR,4R,6R,6aR)-6-{(4-chloro-phenoxy)-[((Z)-octadec-9-enyl)oxy]-phosphoryloxymethyl}-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylcarbamoyl)-methyl]-carbamic acid tert-butyl ester

(Carbamoyl-{(3aR,4R,6R,6aR)-6-[(4-chloro-phenoxy)-hexadecyloxy-phosphoryloxymethyl]-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylcarbamoyl}-methyl)-carbamic acid tert-butyl ester

C₄₁H₄₀ClN₅O₁₀P^(1-)

C₇₉H₆₆Cl₂N₁₀O₂₁P₂

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