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Methyl 3,4-diaMino-5-broMobenzoate

Product Name
Methyl 3,4-diaMino-5-broMobenzoate
CAS No.
1245643-11-1
Chemical Name
Methyl 3,4-diaMino-5-broMobenzoate
Synonyms
Methyl 3-bromo-4,5-diaminobenzoate;Methyl 5-bromo-3,4-diaminobenzoate;3,4-Diamino-5-bromo-benzoic acid methyl ester;Benzoic acid, 3,4-diamino-5-bromo-, methyl ester;3-Bromo-5-(methoxycarbonyl)benzene-1,2-diamine, 3-Bromo-5-(methoxycarbonyl)phenylene-1,2-diamine
CBNumber
CB02671198
Molecular Formula
C8H9BrN2O2
Formula Weight
245.07
MOL File
1245643-11-1.mol
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Methyl 3,4-diaMino-5-broMobenzoate Property

Boiling point:
402.5±40.0 °C(Predicted)
Density 
1.655±0.06 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2–8 °C
pka
1.94±0.10(Predicted)
form 
light sensitive solid
color 
Dark brown
InChI
InChI=1S/C8H9BrN2O2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,10-11H2,1H3
InChIKey
FJUXWCBISHILFS-UHFFFAOYSA-N
SMILES
C(OC)(=O)C1=CC(Br)=C(N)C(N)=C1
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Safety

Hazard Codes 
Xn
Risk Statements 
22-43
Safety Statements 
36/37
HS Code 
2922498590
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P271Use only outdoors or in a well-ventilated area.

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

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N-Bromosuccinimide Price

TRC
Product number
M299560
Product name
Methyl3,4-diamino-5-bromobenzoate
Packaging
1g
Price
$220
Updated
2021/12/16
Matrix Scientific
Product number
087958
Product name
Methyl 3,4-diamino-5-bromobenzoate
Packaging
1g
Price
$286
Updated
2021/12/16
SynQuest Laboratories
Product number
4H58-1-Y4
Product name
Methyl 3-bromo-4,5-diaminobenzoate
Packaging
250mg
Price
$55
Updated
2021/12/16
SynQuest Laboratories
Product number
4H58-1-Y4
Product name
Methyl 3-bromo-4,5-diaminobenzoate
Packaging
1g
Price
$132
Updated
2021/12/16
AK Scientific
Product number
Z8803
Product name
Methyl3,4-diamino-5-bromobenzoate
Packaging
5g
Price
$537
Updated
2021/12/16
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Methyl 3,4-diaMino-5-broMobenzoate Chemical Properties,Usage,Production

Uses

Methyl 3,4-diamino-5-bromobenzoate

Synthesis

105655-17-2

1245643-11-1

Methyl 4-amino-3-bromo-5-nitrobenzoate (10 g, 36.3 mmol) was used as starting material to form a suspension with tin(II) chloride (33 g, 14.5 mmol) in methanol (100 mL). The suspension was heated to 60 °C and maintained at this temperature for the reaction. Upon completion of the reaction, the reaction mixture was cooled to room temperature and subsequently concentrated to give a residue. The residue was adjusted to pH 11 with saturated aqueous sodium bicarbonate and the aqueous phase was extracted with dichloromethane (3 x 200 mL). The organic phases were combined, washed with saturated aqueous sodium chloride solution (200 mL) and dried with anhydrous sodium sulfate. Concentration of the organic phase afforded the target compound methyl 3,4-diamino-5-bromobenzoate as an off-white solid (5 g, 58% yield).1H NMR (CDCl3) data were as follows: δ 7.74 (s, 1H), 7.35 (s, 1H), 4.18 (wide s, 2H), 3.85 (s, 3H), 3.38-3.56 (wide s, 2H).

References

[1] Patent: US2011/111046, 2011, A1. Location in patent: Page/Page column 19
[2] Patent: WO2011/58473, 2011, A1. Location in patent: Page/Page column 39; 40
[3] Patent: WO2016/77378, 2016, A1. Location in patent: Page/Page column 111; 112

Methyl 3,4-diaMino-5-broMobenzoate Preparation Products And Raw materials

Raw materials

Preparation Products

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Methyl 3,4-diaMino-5-broMobenzoate Suppliers

China 69 India 2 United Kingdom 1 United States 8 Global 80
Tianjin Scaxchem Limited Compnay
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1245643-11-1, Methyl 3,4-diaMino-5-broMobenzoateRelated Search:


  • 3-Bromo-5-(methoxycarbonyl)benzene-1,2-diamine, 3-Bromo-5-(methoxycarbonyl)phenylene-1,2-diamine
  • Methyl 3-bromo-4,5-diaminobenzoate
  • 3,4-Diamino-5-bromo-benzoic acid methyl ester
  • Benzoic acid, 3,4-diamino-5-bromo-, methyl ester
  • Methyl 5-bromo-3,4-diaminobenzoate
  • 1245643-11-1