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348155

Sigma-Aldrich

Methyl 4-(bromomethyl)benzoate

98%

Sinonimo/i:

α-Bromo-p-toluic acid methyl ester, 4-(Bromomethyl)benzoic acid methyl ester, 4-(Carbomethoxy)benzyl bromide, 4-(Methoxycarbonyl)benzyl bromide, Methyl α-bromo-p-toluate, Methyl p-(bromomethyl)benzoate, p-(Bromomethyl)benzoic acid methyl ester, p-(Carbomethoxy)benzyl bromide, p-(Methoxycarbonyl)benzyl bromide

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About This Item

Formula condensata:
BrCH2C6H4CO2CH3
Numero CAS:
2417-72-3
Peso molecolare:
229.07
Numero MDL:
MFCD00032453
Codice UNSPSC:
12352100
ID PubChem:
24861555
NACRES:
NA.22

Livello qualitativo

100

Saggio

98%

P. ebollizione

130-135 °C/2 mmHg (lit.)

Punto di fusione

57-58 °C (lit.)

Gruppo funzionale

bromo
ester

Stringa SMILE

COC(=O)c1ccc(CBr)cc1

InChI

1S/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
NLWBJPPMPLPZIE-UHFFFAOYSA-N

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Categorie correlate

Descrizione generale

Methyl 4-(bromomethyl)benzoate is an ester. It is a lachrymator and an important drug intermediate. Ester group is slightly twisted out of the plane of the central aromatic ring in methyl 4-(bromomethyl)benzoate.

Applicazioni

Methyl 4-(bromomethyl)benzoate may be used in the synthesis of 9-O-(4-carboxybenzyl)berberine (CBB).

Avvertenze

Danger

Indicazioni di pericolo

H301,H314,H334

Classi di pericolo

Acute Tox. 3 Oral - Resp. Sens. 1 - Skin Corr. 1B

Codice della classe di stoccaggio

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

Classe di pericolosità dell'acqua (WGK)

WGK 3

Punto d’infiammabilità (°F)

Not applicable

Punto d’infiammabilità (°C)

Not applicable

Dispositivi di protezione individuale

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificati d'analisi (COA)

Lot/Batch Number
MKCJ1202
MKCG6141
MKCC7060
MKBB0480V
MKBB5023V

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Yathirajan HS, et al.
Acta Crystallographica Section E, Structure Reports Online, 63(3), o1334-o1335 (2007)
Jin-Xiang Chen et al.
Bioorganic & medicinal chemistry letters, 22(23), 7056-7059 (2012-10-23)
9-O-(4-carboxybenzyl)berberine (CBB) 1 was synthesized from the reaction of berberrubine with methyl 4-(bromomethyl)benzoate and subsequent hydrolysis. Its Cu(II) complex 2 was prepared from the reaction with Cu(NO(3))(2)·3H(2)O, and established as [Cu(CBB)(2)](NO(3))(2)·2H(2)O by means of (1)H NMR, UV, IR, elemental analysis
Adel A Marzouk et al.
Bioorganic chemistry, 101, 104020-104020 (2020-07-01)
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Jia-Rong Liu et al.
Biochemical pharmacology, 163, 458-471 (2019-03-20)
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Kai Yao et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 1080, 50-58 (2018-02-25)
An immunoaffinity clean-up material based on a monoclonal antibody (mAb) has been prepared for concentrating and purifying bisphenol A (BPA) in 14 kinds of foodstuffs at trace level. Haptens and immunogen of bisphenol A have been synthesized and comprehensively characterized.

Global Trade Item Number

SKUGTIN
348155-25G4061826762196
348155-5G4061826762233

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