Diethyl-2-(2-Fluoro-4-biphenyl)-2-methyl malonate

CAS Number: 42771-81-3

Molecular Formula: C20H21FO4

Purity: Diethyl-2-(2-Fluoro-4-biphenyl)-2-methyl malonate 98% purity

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About Diethyl-2-(2-Fluoro-4-biphenyl)-2-methyl malonate

Diethyl-2-(2-Fluoro-4-biphenyl)-2-methyl malonate (CAS 42771-81-3) is a critical precursor in the API intermediates market, primarily utilized for the synthesis of Flurbiprofen and related non-steroidal anti-inflammatory drugs where high purity fine chemicals (Pharma/API purity 99% | General Industry purity 98%) are es...

Diethyl-2-(2-Fluoro-4-biphenyl)-2-methyl malonate Specifications

CAS Number

42771-81-3

Molecular Formula

C20H21FO4

Molecular Weight

344.38 g/mol

IUPAC Name

diethyl 2-(2-fluoro-[1,1'-biphenyl]-4-yl)-2-methylmalonate

Canonical SMILES

CCOC(=O)C(C)(C1=CC=C(C2=CC=CC=C2)C(F)=C1)C(=O)OCC

InChI Key

TVXAJYBAPUNCTA-UHFFFAOYSA-N

InChI

InChI=1S/C20H21FO4/c1-4-24-18(22)20(3,19(23)25-5-2)16-10-11-17(15(21)12-16)14-8-6-7-9-13-14/h6-13H,4-5H2,1-3H3

MDL Number

MFCD01941299

HSN No

29171990

CAS Number

42771-81-3

Molecular Formula

C20H21FO4

Molecular Weight

344.38 g/mol

IUPAC Name

diethyl 2-(2-fluoro-[1,1'-biphenyl]-4-yl)-2-methylmalonate

Canonical SMILES

CCOC(=O)C(C)(C1=CC=C(C2=CC=CC=C2)C(F)=C1)C(=O)OCC

InChI Key

TVXAJYBAPUNCTA-UHFFFAOYSA-N

InChI

InChI=1S/C20H21FO4/c1-4-24-18(22)20(3,19(23)25-5-2)16-10-11-17(15(21)12-16)14-8-6-7-9-13-14/h6-13H,4-5H2,1-3H3

MDL Number

MFCD01941299

HSN No

29171990

Molecular Weight

344.38 g/mol

Purity

Diethyl-2-(2-Fluoro-4-biphenyl)-2-methyl malonate 98% purity

Melting Point

113-115 °C

Boiling Point

413.4±40.0 °C (Predicted)

Flash Point

254.9 °C

Density

1.153±0.06 g/cm3

Precise Quality

42771-81-3

PSA

52.6 Å²

logP

4.48

Average mass

344.38 g/mol

Monoisotopic mass

344.142412 Da

Molar mass

344.38 g/mol

Precautionary Statement Codes

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

Skin Corr. 1 (100%)

Pharmaceutical Intermediate

An important building block utilized in the synthesis of the nonsteroidal anti-inflammatory drug (NSAID) flurbiprofen

Analytical Reference Standard

A fully characterized chemical compound used for analytical method development, method validation (AMV), and quality control (QC) applications to ensure the quality and traceability of flurbiprofen according to pharmacopeial standards