Catechol phosphate

Base Information

• Chemical Name: Catechol phosphate
• CAS No.: 4918-98-3
• Molecular Formula: C6H7O5P
• Molecular Weight: 190.092
• UNII: F8942M17LH
• DSSTox Substance ID: DTXSID60964174
• Nikkaji Number: J517.609C
• Wikidata: Q82946102
• Mol file: 4918-98-3.mol

Synonyms:catechol phosphate;4918-98-3;2-Hydroxyphenyl dihydrogen phosphate;1,2-Benzenediol, mono(dihydrogen phosphate);F8942M17LH;o-Hydroxyphenylphosphoric acid;(2-hydroxyphenyl) dihydrogen phosphate;Pyrocatechol 1-phosphate;Pyrocatechol, di-H phosphate;YSZC549;SCHEMBL522291;UNII-F8942M17LH;2-hydroxyphenyl phosphoric acid;(2-hydroxyphenoxy)phosphonic acid;2-Hydroxyphenyldihydrogenphosphate;DTXSID60964174;CS-0170274

Chemical Property of Catechol phosphate

Chemical Property:

• Vapor Pressure: 3.07E-07mmHg at 25°C
• Boiling Point: 403.6°C at 760 mmHg
• Flash Point: 197.9°C
• Density: 1.659g/cm³
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 190.00311032
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)O)OP(=O)(O)O

Technology Process of Catechol phosphate

There total 20 articles about Catechol phosphate 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: 95.0%

2-azido-2-oxo-4,5-benz-1,3,2-dioxaphospholane (85741-82-8) → phosphoric acid 2-hydroxyphenyl phosphate (4918-98-3)

Guidance literature:

With water;

Reference yield: 65.0%

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → phosphoric acid 2-hydroxyphenyl phosphate (4918-98-3)

Guidance literature:

With phosphorus pentoxide; at 110 ℃; for 2h;

DOI:10.1246/bcsj.80.1429

Reference yield: 25.0%

Brenzcatechylphosphorigsaureester-anilid (10154-54-8) → phosphoric acid 2-hydroxyphenyl phosphate (4918-98-3) + pyrocatechol cyclophosphoric acid (4846-23-5)

Guidance literature:

With chlorhexidine diphosphanilate; In chlorobenzene; at 30 ℃; Product distribution; Mechanism; subst. effects;

upstream raw materials:

pyrocatechol cyclophosphoric acid

benzene-1,2-diol

Methyl-o-phenylenphosphat

o-phenylene chlorophosphate

Downstream raw materials:

Phosphorsaeuredimethyl-(2-methoxyphenyl)-ester