Pentyl dihydrogen phosphate

Base Information

• Chemical Name: Pentyl dihydrogen phosphate
• CAS No.: 2382-76-5
• Deprecated CAS: 163447-51-6
• Molecular Formula: C5H13 O4 P
• Molecular Weight: 168.13
• Hs Code.: 2919900090
• European Community (EC) Number: 219-188-2,235-827-8
• NSC Number: 41913
• UN Number: 2819
• DSSTox Substance ID: DTXSID50862913
• Nikkaji Number: J191.419G
• Wikidata: Q81986299
• Mol file: 2382-76-5.mol

Synonyms:Pentyl dihydrogen phosphate;Amyl acid phosphate;12789-46-7;2382-76-5;Phosphoric acid, monopentyl ester;Phosphoric acid, pentyl ester;Monoamyl phosphate;Monopentyl phosphate;UN2819;Amyl dihydrogen phosphate;EINECS 235-827-8;Pentyl phosphate, (C5H11O)(OH)2PO;(pentyloxy)phosphonic acid;EINECS 219-188-2;NSC 41913;Phosphoric acid pentyl ester;Amyl acid phosphate [UN2819] [Corrosive];phosphorous acid pentoxide;SCHEMBL56778;DTXSID50862913;NSC41913;MFCD00058854;NA2819;NSC-41913;AKOS006275678;SY298998;LS-107872;Amyl acid phosphate [UN2819] [Corrosive];A854512

Chemical Property of Pentyl dihydrogen phosphate

Chemical Property:

• Boiling Point: 285.6°Cat760mmHg
• Flash Point: 126.5°C
• PSA: 76.57000
• Density: 1.23g/cm³
• LogP: 1.28590
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 168.05514589
• Heavy Atom Count: 10
• Complexity: 119
• Transport DOT Label: Corrosive

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CCCCCOP(=O)(O)O

Technology Process of Pentyl dihydrogen phosphate

There total 3 articles about Pentyl dihydrogen 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:

pentan-1-ol (71-41-0) → phosphoric acid monopentyl ester (2382-76-5)

Guidance literature:

With 8-Quinolinyl phosphate; copper dichloride;

DOI:10.1248/cpb.21.2438

Reference yield:

pentan-1-ol (71-41-0) → phosphoric acid monopentyl ester (2382-76-5) + di-n-pentylphosphoric acid (3138-42-9)

Guidance literature:

With PPA;

DOI:10.1002/hlca.19560390645

Reference yield:

→ phosphoric acid monopentyl ester (2382-76-5)

Guidance literature:

H3PO3, N-Methylimidazol, HgCl2, n-Pentanol;

upstream raw materials:

pentan-1-ol

Refernces

• 1、 Van Herk, Teunie,Hartog, Aloysius F.,Van Der Burg, Alida M.,Wever, Ron. "Regioselective phosphorylation of carbohydrates and various alcohols by bacterial acid phosphatases; probing the substrate specificity of the enzyme from Shigella flexneri". . p. 1155 - 1162. Retrieved 2007/10/03.