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2-amino-5-nitrobenzyl alcohol

Product Name
2-amino-5-nitrobenzyl alcohol
CAS No.
77242-30-9
Chemical Name
2-amino-5-nitrobenzyl alcohol
Synonyms
2-amino-5-nitrobenzyl alcohol;2-Amino-5-nitrobenzenemethanol;Benzenemethanol,2-amino-5-nitro-
CBNumber
CB5895579
Molecular Formula
C7H8N2O3
Formula Weight
168.15
MOL File
77242-30-9.mol
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2-amino-5-nitrobenzyl alcohol Property

Boiling point:
427.3±30.0 °C(Predicted)
Density 
1.432±0.06 g/cm3(Predicted)
storage temp. 
Keep in dark place,Inert atmosphere,Room temperature
pka
13.67±0.10(Predicted)
Appearance
Light brown to green Solid
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Safety

HS Code 
2922190090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H302Harmful if swallowed

H372Causes damage to organs through prolonged or repeated exposure

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P273Avoid release to the environment.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC
Product number
A578470
Product name
(2-Amino-5-nitrophenyl)methanol
Packaging
250mg
Price
$110
Updated
2021/12/16
TRC
Product number
A578470
Product name
(2-Amino-5-nitrophenyl)methanol
Packaging
500mg
Price
$180
Updated
2021/12/16
AK Scientific
Product number
0808BB
Product name
2-Amino-5-nitrobenzylalcohol
Packaging
5g
Price
$937
Updated
2021/12/16
Anichem
Product number
CT2989
Product name
(2-AMINO-5-NITROPHENYL)METHANOL
Purity
>95%
Packaging
1g
Price
$160
Updated
2021/12/16
Chemcia Scientific
Product number
CC00-9432
Product name
(2-Amino-5-nitro-phenyl)-methanol
Purity
>97%
Packaging
1g
Price
$175
Updated
2021/12/16
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2-amino-5-nitrobenzyl alcohol Chemical Properties,Usage,Production

Uses

(2-Amino-5-nitrophenyl)methanol is used in preparation of Spiropyridooxazinepyrrolidine compounds as dual inhibitors of factor XIa and plasma kallikrein.

Synthesis

616-79-5

77242-30-9

General procedure for the synthesis of (2-amino-5-nitrophenyl)methanol from 2-amino-5-nitrobenzoic acid: firstly, compound 24a was prepared from compound 23b according to the literature methodology. after completion of the reaction, the target product 29b was obtained by conventional post-treatment in 92% yield and the product was a butter-like solid. The product was identified by infrared spectroscopy (IR) and the main absorption peaks were located at 3365, 2918, 1612, 1528, 1345, 1239, 1051, 755 cm-1. Nuclear magnetic resonance hydrogen spectroscopy (1H NMR, 400 MHz, CDCl3) showed δ : 1.27-1.35 (1H, m), 2.11 (1H, dt, J = 5.3, 12.8 Hz), 2.25 (1H, dt, J = 2.8, 12.0 Hz), 2.36-2.48 (1H, m), 2.43 (3H, s), 2.90-3.00 (2H, m), 2.96 (1H, d, J = 18.0 Hz), 3.10 (1H, d, J = 18.0 Hz), 3.27 (1H, d, J = 7.61 (1H, dd, J = 2.0, 9.6 Hz), 7.67 (1H, s), 8.29 (1H, d, J = 2.0 Hz), two protons (OH) were not observed. The nuclear magnetic resonance carbon spectrum (13C NMR, 100 MHz, CDCl3) showed δ: 23.9, 35.8, 36.1, 39.1, 40.4, 42.9, 45.3, 61.4, 69.2, 112.6, 115.0, 121.7, 123.3, 125.6, 127.0, 128.3, 129.2, 131.0, 137.2, 140.3, 144.4, 147.0, 155.2, 162.0. High-resolution mass spectrometry (HRMS, ESI) analysis showed calculated value of C24H24N3O4 [M + H]+: 418.1767, measured value: 418.1748.

References

[1] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 19, p. 5810 - 5831
[2] Patent: US2014/121415, 2014, A1. Location in patent: Paragraph 0050
[3] Patent: US2010/63037, 2010, A1. Location in patent: Page/Page column 20
[4] Journal of Organic Chemistry, 2010, vol. 75, # 20, p. 7033 - 7036
[5] Patent: WO2015/164308, 2015, A1

2-amino-5-nitrobenzyl alcohol Preparation Products And Raw materials

Raw materials

Preparation Products

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2-amino-5-nitrobenzyl alcohol Suppliers

Zhengzhou Converging Chemical Co. LTD
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