ChemicalBook > CAS DataBase List > Methyl 3-formyl-2-nitrobenzoate

Methyl 3-formyl-2-nitrobenzoate

Product Name: Methyl 3-formyl-2-nitrobenzoate
CAS No.: 138229-59-1
Chemical Name: Methyl 3-formyl-2-nitrobenzoate
Synonyms: Methyl 3-formyl-2-nitrobenzoate;Methyl 3-formyl-2-nitrobenzoate 99%;Benzoic acid, 3-forMyl-2-nitro-, Methyl ester;EOS-60871;RSYY(Roxadustat)-9;methyl 3-formyl-2-nitrobenzoa;methyl 2-nitro-3-aldehydebenzoate;Methyl ester 3-formyl-2-nitro-Benzoate;3-Formyl-2-nitrobenzoic acid methyl ester;Methyl 3-formyl-2-nitrobenzoate(For export only)
CBNumber: CB02534693
Molecular Formula: C9H7NO5
Formula Weight: 209.16
MOL File: 138229-59-1.mol

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Methyl 3-formyl-2-nitrobenzoate Property

Boiling point:: 354℃
Density: 1.386
Flash point:: 173℃
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
form: lumpy powder
color: White
InChI: InChI=1S/C9H7NO5/c1-15-9(12)7-4-2-3-6(5-11)8(7)10(13)14/h2-5H,1H3
InChIKey: NSLOBVGASZUPDO-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=CC(C=O)=C1[N+]([O-])=O
CAS DataBase Reference: 138229-59-1

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Safety

HS Code: 2918300090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

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N-Bromosuccinimide Price

TRC

Product number: M305575
Product name: Methyl3-Formyl-2-nitrobenzoate
Packaging: 1g
Price: $405
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4654-1-2E
Product name: Methyl 3-formyl-2-nitrobenzoate
Purity: 99%
Packaging: 1g
Price: $432
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0393062
Product name: METHYL-3-FORMYL-2-NITROBENZOATE
Purity: 95.00%
Packaging: 5MG
Price: $502.56
Updated: 2021/12/16

AK Scientific

Product number: Y3235
Product name: Methyl3-formyl-2-nitrobenzoate
Packaging: 5g
Price: $54
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4654-1-2E
Product name: Methyl 3-formyl-2-nitrobenzoate
Purity: 99%
Packaging: 5G
Price: $1232
Updated: 2021/12/16

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Methyl 3-formyl-2-nitrobenzoate Chemical Properties,Usage,Production

Description

Methyl 3-formyl-2-nitrobenzoate is a phase transfer catalyst used to synthesize chlorinated hydrocarbons from inorganic chloride. It is soluble in organic solvents and can synthesize hydrochloric acid, sodium chloride, and zinc chloride. Methyl 3-formyl-2-nitrobenzoate is also used as a catalyst for producing polychlorinated biphenyls. It is hydrolyzed by water to release methyl 3-hydroxy-2-nitrobenzoate.

Uses

Methyl 3-?Formyl-?2-?nitrobenzoate is a reagent used in the synthesis of PARP inhibitors. Intermediate of Niraparib (N481400), a novel oral poly(ADP-ribose)polymerase (PARP) inhibitor efficacious in BRCA-1 and -2 mutant tumors.

Synthesis

132874-06-7

138229-59-1

Step C: Synthesis of methyl 3-formyl-2-nitrobenzoate; N-methylmorpholine oxide (NMO, 6.10 g, 52.07 mmol) was added to a solution of acetonitrile (150 mL) containing methyl 3-(bromomethyl)-2-nitrobenzoate (7.13 g, 26.023 mmol) and 4A molecular sieves (35.32 g) under nitrogen protection. The reaction mixture was stirred at room temperature for 1.5 hours. Subsequently, the reaction mixture was diluted with ethyl acetate (600 mL) and the insoluble material was removed by vacuum filtration. The filtrate was washed sequentially with water (100 mL), 1N HCl (100 mL) and brine (150 mL) and then dried with anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure and the residue was purified by fast column chromatography on silica gel, using ethyl acetate/hexane (1:3) as eluent to afford methyl 3-formyl-2-nitrobenzoate as an off-white solid (4.04 g, 74% yield). The structure of the product was confirmed by 1H NMR (CDCl3): δ 3.95 (s, 3H), 7.77 (t, 1H), 8.18 (dd, 1H), 8.28 (dd, 1H), 9.98 (s, 1H).

References

[1] Patent: WO2005/66136, 2005, A1. Location in patent: Page/Page column 88-89
[2] Patent: WO2009/87381, 2009, A1. Location in patent: Page/Page column 35-36
[3] Journal of Medicinal Chemistry, 2009, vol. 52, # 22, p. 7170 - 7185
[4] Organic Process Research and Development, 2011, vol. 15, # 4, p. 831 - 840
[5] Patent: WO2007/113596, 2007, A1. Location in patent: Page/Page column 77

Methyl 3-formyl-2-nitrobenzoate Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from Methyl 3-formyl-2-nitrobenzoate manufacturers

Jinan Ruitong Biotech Co., Ltd.

Product: methyl 3-formyl-2-nitrobenzoate 138229-59-1
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 1
Release date: 2025-08-28

Henan Aochuang Chemical Co.,Ltd.

Product: 3-Formyl-2-nitrobenzoic acid methyl ester 138229-59-1
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-10-08

Shaanxi Dideu New Materials Co. Ltd

Product: Methyl 3-formyl-2-nitrobenzoate 138229-59-1
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 98.0%
Supply Ability: 10000KGS
Release date: 2024-11-13

138229-59-1, Methyl 3-formyl-2-nitrobenzoateRelated Search:

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Methyl 3-formyl-2-nitrobenzoate 99%

EOS-60871

Methyl 3-formyl-2-nitrobenzoate

Benzoic acid, 3-forMyl-2-nitro-, Methyl ester

methyl 3-formyl-2-nitrobenzoa

3-Formyl-2-nitrobenzoic acid methyl ester

methyl 2-nitro-3-aldehydebenzoate

Methyl ester 3-formyl-2-nitro-Benzoate

Methyl 3-formyl-2-nitrobenzoate(For export only)

RSYY(Roxadustat)-9

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((2-(4-((S)-piperidin-3-yl)phenyl)-2H-indazole-7-carbonyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

138229-59-1