METHYL 2-AMINO-5-BROMOBENZOATE

Bezeichnung:METHYL 2-AMINO-5-BROMOBENZOATE

CAS-Nr52727-57-8

Englisch Name:METHYL 2-AMINO-5-BROMOBENZOATE

CBNumberCB0666923

SummenformelC8H8BrNO2

Molgewicht230.06

MOL-Datei52727-57-8.mol

METHYL 2-AMINO-5-BROMOBENZOATE physikalisch-chemischer Eigenschaften

Schmelzpunkt	72-74 °C(lit.)
Siedepunkt	286.3±20.0 °C(Predicted)
Dichte	1.578±0.06 g/cm3(Predicted)
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	DMSO, Methanol
pka	1.76±0.10(Predicted)
Aggregatzustand	Solid
Farbe	White
Wasserlöslichkeit	Soluble in water.
BRN	972720
InChI	InChI=1S/C8H8BrNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3
InChIKey	QVNYNHCNNGKULA-UHFFFAOYSA-N
SMILES	C(OC)(=O)C1=CC(Br)=CC=C1N
CAS Datenbank	52727-57-8(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38-37/38-36
S-Sätze:	26-36-37/39
WGK Germany	3
HS Code	29224999
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

METHYL 2-AMINO-5-BROMOBENZOATE Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R37/38:Reizt die Atmungsorgane und die Haut.
R36:Reizt die Augen.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
White to light yellow crystal powder
Verwenden
Methyl 2-amino-5-bromobenzoate acts as a potential PqsD inhibitor against pseudomonas aeruginosa infections. It is also used in the preparation of hepatitis C virus NS5b RNA polymerase inhibitors. It is involved in plant growth-regulator activity.
Synthesis Reference(s)
Tetrahedron Letters, 35, p. 7055, 1994 DOI: 10.1016/0040-4039(94)88224-X
Allgemeine Beschreibung
Molecules of methyl 2-amino-5-bromobenzoate are linked by N-H...O bonds and consists of zigzag chains running along the b-axis direction. The nonlinear optical single crystal of M2A5B grown by Sankaranarayanan-Ramasamy (SR) Unidirectional growth method shows good optical transparency and mechanical stability.
Synthese

134-20-3

52727-57-8

1. Add carbon tetrachloride (100 mL) and methyl phthalate (149 mmol) to a 250 mL four-neck flask with stirring initiated. Bromine (156.45 mmol) was added slowly dropwise. After the dropwise addition, the reaction progress was monitored by HPLC. After completion of the reaction, the reaction solution was filtered and the resulting filter cake was washed with 200 mL of isopropyl ether and dried to give a yellow solid product. The purity of the product was 96.5% and the yield was 90%.
Einzelnachweise
[1] Patent: CN108164469, 2018, A. Location in patent: Paragraph 0100; 0101
[2] Patent: CN107089919, 2017, A. Location in patent: Paragraph 0052; 0053; 0054; 0055
[3] Synthetic Communications, 2007, vol. 37, # 4, p. 581 - 585
[4] Organic and Biomolecular Chemistry, 2017, vol. 15, # 21, p. 4644 - 4654

METHYL 2-AMINO-5-BROMOBENZOATE Upstream-Materialien And Downstream Produkte

METHYL 2-AMINO-5-BROMOBENZOATE Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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