Phosphoric acid, monopropyl ester

Base Information

• Chemical Name: Phosphoric acid, monopropyl ester
• CAS No.: 1623-06-9
• Deprecated CAS: 854814-71-4
• Molecular Formula: C3H9 O4 P
• Molecular Weight: 140.076
• Hs Code.: 2919900090
• European Community (EC) Number: 216-601-8
• NSC Number: 41909
• UNII: Y295RBH8BG
• DSSTox Substance ID: DTXSID10862717
• Nikkaji Number: J195.249H
• Wikidata: Q23994814
• ChEMBL ID: CHEMBL144328
• Mol file: 1623-06-9.mol

Synonyms:Propyl dihydrogen phosphate;Propyl phosphate;1623-06-9;Phosphoric acid, monopropyl ester;Monopropyl phosphate;Propyl hydrogen phosphate;Propyl phosphate, (PrO)(HO)2PO;EINECS 216-601-8;NSC 41909;BRN 1702876;NSC-41909;4-01-00-01427 (Beilstein Handbook Reference);monopropylphosphat;Phosphoric acid monopropyl ester;propyl diwasserstoff phosphat;PROPOXYPHOSPHONIC ACID;Y295RBH8BG;SCHEMBL57642;mono-n-propyl phosphoric acid;CHEMBL144328;DTXSID10862717;NSC41909;MFCD00058853;Phosphoric acid dihydrogen propyl ester;Propyl phosphate ((C3H7O)(HO)2PO);SY299100;LS-107869;Q23994814

Chemical Property of Phosphoric acid, monopropyl ester

Chemical Property:

• Vapor Pressure: 0.00355mmHg at 25°C
• Boiling Point: 260.9°Cat760mmHg
• Flash Point: 111.6°C
• PSA: 76.57000
• Density: 1.352g/cm³
• LogP: 0.50570
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 140.02384576
• Heavy Atom Count: 8
• Complexity: 95.5

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOP(=O)(O)O

Technology Process of Phosphoric acid, monopropyl ester

There total 7 articles about Phosphoric acid, monopropyl 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: 98.0%

propan-1-ol (71-23-8) → Phosphoric acid monopropyl ester (1623-06-9)

Guidance literature:

With PPA; In water;

Reference yield: 94.0%

chloro-trimethyl-silane (75-77-4) + phosphoric acid tripropyl ester (513-08-6) → Phosphoric acid monopropyl ester (1623-06-9)

Guidance literature:

With potassium iodide; In acetonitrile; for 5h; Solvent; Inert atmosphere; Reflux;

Reference yield: 85.0%

propan-1-ol (71-23-8) → Phosphoric acid monopropyl ester (1623-06-9) + phosphoric acid tripropyl ester (513-08-6) + dipropylphosphate (1804-93-9)

Guidance literature:

With phosphorus; tetraethylammonium iodide; In water; acetonitrile; electrolysis;

upstream raw materials:

propan-1-ol

1-iodo-propane

chloro-trimethyl-silane

phosphoric acid tripropyl ester

Refernces

• 1、 Warren,Suttle. "". . p. 336,338. Retrieved 1960.
• 2、 Mukaiyama et al.. "". . p. 2721. Retrieved 1966.
• 3、 Das, Arijit,Ko, Hyojin,Burianek, Lauren E.,Barrett, Matthew O.,Harden, T. Kendall,Jacobson, Kenneth A.. "Human P2Y14 receptor agonists: Truncation of the hexose moiety of uridine-5′-diphosphoglucose and its replacement with alkyl and aryl groups". scheme or table. p. 471 - 480. Retrieved 2010/05/02.
• 4、 Romakhin,Nikitin. "Synthesis of Trialkyl Phosphates from White Phosphorus". . p. 1023 - 1026. Retrieved 2007/10/03.