Allessan® CAP

CAS Number: 68957-94-8
Empirical formula: C9H1O6P3
Chemical name: 1-PROPANEPHOSPHONIC ANHYDRIDE
Weight: 318,181

An outstanding coupling and water-removal reagent

Allessan®CAP is an outstanding coupling and water removal reagent, offering numerous advantages over many other commonly used but hazardous coupling reagents such as DCC (toxic), HOBt (explosive), HBTU, and PyBOP.

Thanks to its less toxic properties, a broad spectrum of applications, high selectivity, and mild operating conditions, Propanephosphonic Acid Anhydride (PPAA) (also known as PPA-Polyphosphoric acid or T3P) offers you several benefits in both medicinal chemistry and chemical processes, including:

  • High chemical and optical purity
  • High product purities
  • Excellent yields
  • Reduced overall process costs
Safe handling – no CMR properties, non-toxic, non-allergenic, non-sensitizing
Excellent safety profile: high thermal stability, no decomposition
Broad functional group tolerance, mild reaction conditions (0 –25 °C)

Allessan®CAP can be used for:

  • Amidations and Peptide couplings in the liquid phase (linear and cyclic peptides)
  • Esterifications
  • Functional Group Transformation (nitrile formation, olefine formation, alcohol oxidation, reduction of carboxylic acids, Lossen rearrangement, Beckmann rearrangement)
  • Synthesis of heterocyclic compounds (pyrazolone, indole, quinolines, coumarins)
  • Swern-type oxidations as a substitute of oxalyl dichloride and triethylamine
  • Aza-Diels-Alder reactions as a catalyst
  • pH neutral dehydration reagent, similar in strength to the highly reactive and hazardous phosphorous pentoxide and polyphosphoric acid
  • Alternative to molecular sieves for water removal from organic solvents
  • Lewis acid catalysis

Coupling Reagent

Toxicity

Epimirization

Yield

Purification

Costs

PPA

No

Low

High

Simple

Medium

DCC

High

High

Low

Very difficult

Low

DCC/HOBt

High

Medium

Medium

Very difficult

Low

EDC

High

Medium

Medium

Simple

Medium

BOP

Very high

Low

High

Difficult

High

PyClop

Medium

Low

High

Difficult

Very high

TBTU/HBTU

Medium

Low

High

Difficult

Medium

Coupling Reagent

Racemization (%)

Yield (%)

PPA

1.8

86.6

HOBt/DCC

5.9

60.5

HOBt/EDC

11.1

67.3

HOAt/DCC

11.6

N/A

PyBOP

14.2

63.4

HBTU

16.1

65.6

HATU

21.1

N/A

 

Facility

  • Produced in an ISO 9001 certified facility
  • Capacity: several hundred tons per year

Variety of Solvents

  • Allessan®CAP is typically offered as a concentrated 50% (w/w) solution in various kinds of solvents.

 

  • Ethyl acetate and THF are the most widely used, however, Allessan®CAP can be available in many other solvents (DMF, 2-Me-THF, Acetonitrile, Dichloromethane, Toluene)

Packaging

  • 5 L, 50 L, 200 L steel drums with PE inliners or twin-lock drums (DMF)
  • Only 5 L drums are allowed to be shipped by air freight


 

ALLESSAN®CAP

Name

PPAA (Propanephosphonic acid anhydride), also shortened to PPA (Polyphosphoric acid) or T3P

Empirical formula

[C3 H7 O2 P]3

Molecular weight (g/mol)

318.18

CAS No.

68957-94-8

Appearance

Clear solution

Active content (%w/w)

Min. 50

Solvent content (%w/w)

40 - 44.5

Content of solvent-free Allessan®CAP* (%w/w)

55.5 - 60

Hydrogen chloride content of Allessan®CAP solution (%)

< 0.1


*Content of solvent free Allessan®CAP = 100 – solvent content

Allessan® CAP

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