Methyl 5-fluoro-2-methyl-3-nitrobenzoate

Synonym
Product Category
Product Code
CAS Number
MDL Number
Pubchem CID
Reaxys RN
5-Fluoro-2-methyl-3-nitrobenzoic acid methyl ester, Rucaparib intermediate
API & Intermediates
KUMI1F82
697739-03-0
MFCD11845442
44203026
14255769
image-155171-Trimethyl(trifluoromethyl)silane_reagent.png
Chemical Name
Molecular Formula
Molecular Weight
Assay
Appearance
Melting Point
Packaging
Storage
Methyl 5-fluoro-2-methyl-3-nitrobenzoate
C9H8FNO4
213.16
≥99%
White to Yellow Solid
69°C(methanol)
5g,10g,25g,50g,100g and 500g
Store at 2-8°C
Methyl 5-fluoro-2-methyl-3-nitrobenzoate is a pharmaceutical intermediate for the synthesis of poly-ADP ribose polymerase-1(PARP-1) inhibitors, e.g. Rucaparib, used as an anti-cancer agent.
Multkilogram Scale-Up of a Reductive Alkylation Route to a Novel PARP Inhibitor. [1]
Identification of novel PARP-1 inhibitors: Drug design, synthesis and biological evaluation. [2]
Patent Review of Manufacturing Routes to Recently Approved PARP Inhibitors: Olaparib, Rucaparib, and Niraparib. [3]
References:
[1] A.T.Gillmore, et al, Org. Process Res. Dev., 2012, 16(12), pp 1897-1904.
[2] Z.Xie, et al, Bioorg. Med. Chem. Lett., 2015, 25(20), pp 4557-4561.
[3] D.L.Hughes, Org. Process Res. Dev., 2017, 21(9), pp 1227-1244.
Signal Word
Hazard Statements
Precautionary Statements
HS Code
RIDADR
Legal Information
Warning
H302,H315,H319,H335
P261,P305+P351+P338

NONH for all modes of transport

1. Product Specification
2. Safety Data Sheet
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