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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:
Peso molecolare:
229.07
Numero MDL:
Codice UNSPSC:
12352100
ID PubChem:
NACRES:
NA.22

Livello qualitativo

Saggio

98%

P. eboll.

130-135 °C/2 mmHg (lit.)

Punto di fusione

57-58 °C (lit.)

Gruppo funzionale

bromo

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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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

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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Methyl 4-(bromomethyl) benzoate.
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Acta Crystallographica Section E, Structure Reports Online, 63(3), o1334-o1335 (2007)
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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
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