Phosphorodiamidic acid, phenyl ester

Base Information

• Chemical Name: Phosphorodiamidic acid, phenyl ester
• CAS No.: 7450-69-3
• Molecular Formula: C6H9 N2 O2 P
• Molecular Weight: 172.123
• Hs Code.: 29310099
• European Community (EC) Number: 231-218-6
• UNII: 5F6HV3J4VN
• DSSTox Substance ID: DTXSID4073382
• Nikkaji Number: J278.852G
• Wikipedia: Phenyl_phosphorodiamidate
• Wikidata: Q69755156
• ChEMBL ID: CHEMBL462480
• Mol file: 7450-69-3.mol

Synonyms:phenylphosphoryldiamidate;phosphoric phenyl ester diamide;PPED

Chemical Property of Phosphorodiamidic acid, phenyl ester

Chemical Property:

• Appearance/Colour: white to grey powder and flakes
• Vapor Pressure: 0.000487mmHg at 25°C
• Melting Point: 183-185 °C
• Boiling Point: 313.8ºC at 760 mmHg
• PKA: 1.41±0.70(Predicted)
• Flash Point: 143.6ºC
• PSA: 88.15000
• Density: 1.34g/cm3
• LogP: 2.49150
• Sensitive.: Air & Light Sensitive
• Water Solubility.: 5.6g/L at 20℃
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.04016453
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

99.9% ^*data from raw suppliers

PHENYLPHOSPHORODIAMIDATE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 25-36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OP(=O)(N)N
• Uses: Reagent for conversion of tautomeric keto-hydroxy groups (e.g. in N-heterocycles) directly to amino groups.

Technology Process of Phosphorodiamidic acid, phenyl ester

There total 3 articles about Phosphorodiamidic acid, phenyl ester 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: 90.0%

O-phenyl phosphorodichloridate (770-12-7) → phenyl diamidophosphate (7450-69-3)

Guidance literature:

With ammonium hydroxide; at -10 ℃; for 2.5h;

DOI:10.1002/ardp.19813140116

Reference yield:

phenol (108-95-2,27073-41-2) → diphenylphosphoroamidate (2015-56-7) + phenyl diamidophosphate (7450-69-3)

Guidance literature:

With pyridine; chloroform; trichlorophosphate; at -2 ℃; Eintragen des Reaktionsgemisches in fluessiges NH₃;

DOI:10.1021/ja01853a025

Reference yield:

→ phenyl diamidophosphate (7450-69-3)

Guidance literature:

/BRN= 511863/, NH3;

upstream raw materials:

O-phenyl phosphorodichloridate

phenol

Downstream raw materials:

phenol

1-(2-methoxyphenyl)-4-amino-6-methoxy-2,3-dihydropyrrolo<3,2-c>quinoline

1-(2-methylphenyl)-4-amino-6-methyl-2,3-dihydropyrrolo<3,2-c>quinoline

diamidophosphoric acid

Refernces

• 1、 Xu, Wenzong,Yin, Jianguo,Hu, Yuan,Lu, Bo,Hung, Wei. "Synthesis and thermal degradation behaviours of novel phosphorus-containing polyurethane elastomers". experimental part. p. 3981 - 3985. Retrieved 2012/09/22.
• 2、 Mollin, Jiri,Laznicka, Jiri,Kasparek, Frantisek. "ALKALINE SOLVOLYSIS OF DIAMIDOPHOSPHATES". . p. 232 - 242. Retrieved 2007/10/02.