CAS 5381-99-7|2-chloro-2,4-dihydro-1,3,2-benzodioxaphosphinin-4-one|2-chloro-1,3,2-benzodioxaphosphinin-4-one|Salicyl chlorophosphite|2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one|Salicyl Phosphoroch...

General Information

Structure

Molecular Formula

C₇H₄ClO₃P

Molecular Mass

202.531621

Exact Mass

201.9586583

Charge

InChI

InChI=1S/C7H4ClO3P/c8-12-10-6-4-2-1-3-5(6)7(9)11-12/h1-4H

InChIKey

BVOITXUNGDUXRW-UHFFFAOYSA-N

Canonic Smiles

ClP1OC(=O)c2c(O1)cccc2

Isomeric Smiles

O1C(=O)c2c(cccc2)OP1Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.4658

LogD (pH = 7.4)

2.4658

Log P

2.4658

Molar Refractivity

46.1254

Polarizability

17.577293

Polar Surface Area

35.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-chloro-2,4-dihydro-1,3,2-benzodioxaphosphinin-4-one

IUPAC Traditional name

2-chloro-1,3,2-benzodioxaphosphinin-4-one

Synonyms

Salicyl chlorophosphite2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-oneSalicyl PhosphorochloriditeNSC 402092-Chloro-4H-1,2,3-benzodioxaphosphorin-4-one 90%SalPCl2-Chloro-1,3,2-benzodioxaphosphorin-4-one2-氯-1,3,2-苯并二氧磷杂环己烷-4-酮2-Chloro-4H-benzo[d][1,3,2]dioxaphosphinin-4-one2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one2-氯-4H-1,3,2-苯并二氧磷-4-酮

Names and Identifiers

Registration numbers

CAS Number

5381-99-7

Beilstein Number

1311951

MDL Number

MFCD00013353

PubChem SID

2485942524854081162074928

PubChem CID

237010

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

OR3651T

Highly reactive cyclic phosphitylating reagent which provides fast coupling rates, & hydrolic cleavage that occurs more readily than with acrylic analogs.

Sigma Aldrich

324124

Application
Reagent used in phosphorylation and phosphitylation of alcohols and in the formation of H-phosphonates.
Packaging
5, 25 g in glass bottle

23514

Other Notes
Phosphitylating agent for nucleosides and carbohydrates1,2,3; Synthesis of triphosphates and 1-thiotriphosphates from alcohols4

TRC

C365000

Highly reactive cyclic phosphitylating reagent which provides fast coupling rates, and hydrolytic cleavage occurs more readily than with acyclic analogs.

Molecule Details

References

PubChem Literature

From Data Sources

• Bannwarth,W. & Kung, E.: Tetrahedron Lett., 30, 4219 (1989)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

2-chloro-2,4-dihydro-1,3,2-benzodioxaphosphinin-4-one

IUPAC Traditional name

2-chloro-1,3,2-benzodioxaphosphinin-4-one

Synonyms

Registration numbers

CAS Number

5381-99-7

Beilstein Number

1311951

MDL Number

MFCD00013353

PubChem SID

2485942524854081162074928

PubChem CID

237010

Molecule Details

Apollo Scientific

OR3651T

Highly reactive cyclic phosphitylating reagent which provides fast coupling rates, & hydrolic cleavage that occurs more readily than with acrylic analogs.

Sigma Aldrich

324124

Application
Reagent used in phosphorylation and phosphitylation of alcohols and in the formation of H-phosphonates.
Packaging
5, 25 g in glass bottle

23514

Other Notes
Phosphitylating agent for nucleosides and carbohydrates1,2,3; Synthesis of triphosphates and 1-thiotriphosphates from alcohols4

TRC

C365000

Highly reactive cyclic phosphitylating reagent which provides fast coupling rates, and hydrolytic cleavage occurs more readily than with acyclic analogs.

References

PubChem Literature

From Data Sources

• Bannwarth,W. & Kung, E.: Tetrahedron Lett., 30, 4219 (1989)

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:87888