DIETHYL P- TOLUENE SULFONYL OXYMETHYL PHOSPHONATE (DESMP)

CAS Number: 31618-90-3

Molecular Formula: C12H19O6PS

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About DIETHYL P- TOLUENE SULFONYL OXYMETHYL PHOSPHONATE (DESMP)

Diethyl (p-Toluenesulfonyloxymethyl)phosphonate (CAS 31618-90-3) is an indispensable building block in the high purity fine chemicals sector, where it is primarily utilized for the synthesis of Tenofovir and Adefovir, requiring a Pharma/API purity of 99% to ensure the efficacy of antiretroviral therapies. Diethyl (tosy...

DIETHYL P- TOLUENE SULFONYL OXYMETHYL PHOSPHONATE (DESMP) Specifications

CAS Number

31618-90-3

Molecular Formula

C12H19O6PS

Molecular Weight

322.31 g/mol

IUPAC Name

diethoxyphosphorylmethyl 4-methylbenzenesulfonate

Canonical SMILES

CCOP(=O)(COS(=O)(=O)C1=CC=C(C=C1)C)OCC

InChI Key

UOEFFQWLRUBDME-UHFFFAOYSA-N

InChI

InChI=1S/C12H19O6PS/c1-4-16-19(13,17-5-2)10-18-20(14,15)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3

EINECS Number

608-653-9

MDL Number

MFCD03412078

HSN No

29319090

CAS Number

31618-90-3

Molecular Formula

C12H19O6PS

Molecular Weight

322.31 g/mol

IUPAC Name

diethoxyphosphorylmethyl 4-methylbenzenesulfonate

Canonical SMILES

CCOP(=O)(COS(=O)(=O)C1=CC=C(C=C1)C)OCC

InChI Key

UOEFFQWLRUBDME-UHFFFAOYSA-N

InChI

InChI=1S/C12H19O6PS/c1-4-16-19(13,17-5-2)10-18-20(14,15)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3

EINECS Number

608-653-9

MDL Number

MFCD03412078

HSN No

29319090

Molecular Weight

322.31 g/mol

Melting Point

18-23°C

Boiling Point

137 °C/0.02 mmHg

Freezing point

18-23°C

Flash Point

221 °C

Density

1.255 g/cm3

PSA

87.3 Å²

logP

1.6

Average mass

322.31 g/mol

Monoisotopic mass

322.06399649 Da

Molar mass

322.31 g/mol

Precautionary Statement Codes

P264, P280, P302+P352, P305+P351+P338, P332+P313, P337+P313, and P362

Hazard Classes and Categories

Skin Irrit. 2 (100%) Eye Irrit. 2 (100%)

Pharmaceutical Intermediate

Diethyl p-toluene sulfonyl oxymethyl phosphonate (DESMP) is primarily utilized as a critical intermediate in the synthesis of anti-retroviral and nucleoside antiviral drugs, specifically for the production of Tenofovir and Adefovir used in the treatment of HIV, Hepatitis B (HBV), and Cytomegalovirus (CMV)

Organic Synthesis

The compound serves as a valuable phosphorylating agent and building block in the development of phosphine ligands, herbicides, and fungicides within the agrochemical and fine chemical industries

Biochemical Research

It is employed in laboratory research and development for the synthesis of acyclic nucleoside phosphonates and other bioactive molecules to investigate viral replication inhibition.