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559830

Sigma-Aldrich

Methyl-2-benzoylbenzoate

97%

Sinônimo(s):

2-Benzoylbenzoic acid methyl ester, Methyl o-benzoylbenzoate, o-(Methoxycarbonyl)benzophenone

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About This Item

Fórmula linear:
C6H5COC6H4CO2CH3
Número CAS:
606-28-0
Peso molecular:
240.25
Número CE:
210-112-3
Número MDL:
MFCD00017187
Código UNSPSC:
12352100
ID de substância PubChem:
24879647
NACRES:
NA.22

Nível de qualidade

100

Ensaio

97%

Formulário

solid

pf

48-53 °C (lit.)

grupo funcional

ester
ketone
phenyl

cadeia de caracteres SMILES

COC(=O)c1ccccc1C(=O)c2ccccc2

InChI

1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3

chave InChI

NQSMEZJWJJVYOI-UHFFFAOYSA-N

Descrição geral

Methyl-2-benzoylbenzoate is a 2-acylarylcarboxylate.
  • It can undergo asymmetric transfer hydrogenation reaction in propanol in the presence of a Ruthenium catalyst.
  • Methyl-2-benzoylbenzoate is formed as one of the reaction products during the reaction between methyl benzoate and lithium 2,2,6,6-tetramethylpiperidide (LiTMP) at -117°C.
  • Methyl-2-benzoylbenzoate can be synthesized from the reaction between corresponding 2-substituted benzoic acid and thionyl chloride in methanol.

Pictogramas

Environment
GHS09

Palavra indicadora

Warning

Frases de perigo

H410

Declarações de precaução

P273 - P391 - P501

Classificações de perigo

Aquatic Acute 1 - Aquatic Chronic 1

Código de classe de armazenamento

11 - Combustible Solids

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

Not applicable

Ponto de fulgor (°C)

Not applicable

Equipamento de proteção individual

Eyeshields, Gloves

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Certificados de análise (COA)

Lot/Batch Number
MKCQ6405
MKCJ1442
MKCG2334
MKCB8172
MKBT1441V

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Dipole stabilized carbanions. Reactions of benzoate esters with lithium 2, 2, 6, 6-tetramethylpiperidide.
Upton CJ and Beak P.
The Journal of Organic Chemistry, 40(8), 1094-1098 (1975)
One-Step Synthesis of 1-Oxo- 1,2-dihydroisoquinoline-3-carboxylic Acid Derivatives.
Nunami K, et al.
The Journal of Organic Chemistry, 44(11), 1887-1888 (1979)
Stereoselective synthesis of 3-substituted phtalides via asymmetric transfer hydrogenation using well-defined ruthenium catalysts under neutral conditions.
Everaere K, et al.
Tetrahedron Letters, 42(10), 1899-1901 (2001)
Miwa Morizane et al.
Journal of toxicology and environmental health. Part A, 78(23-24), 1450-1460 (2015-12-23)
A recent in vitro study reported that the photoinitiator 2-isopropylthioxanthone (2-ITX) is an endocrine-disrupting compound (EDC). However, it is not clear whether other photoinitiators such as 1-hydroxycyclohexyl phenyl ketone (1-HCHPK) and 2-methyl-4'-(methylthio)-2-morpholinopropiophenone (MTMP) produce endocrine-disrupting effects. The purpose of this
Miguel A Lago et al.
Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment, 33(3), 518-529 (2016-01-21)
Since the UV ink photoinitiator (PI) isopropylthioxanthone (ITX) was discovered in packaged milk, studies of print contamination have focused primarily on PIs but have also included amine synergists. Many other substances are used or formed during the print process, yet

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