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3-NITROTYRAMINE

Product Name
3-NITROTYRAMINE
CAS No.
49607-15-0
Chemical Name
3-NITROTYRAMINE
Synonyms
3-NITROTYRAMINE;Phenol, 4-(2-aMinoethyl)-2-nitro-
CBNumber
CB7363782
Molecular Formula
C8H10N2O3
Formula Weight
182.18
MOL File
49607-15-0.mol
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3-NITROTYRAMINE Property

Melting point:
217 °C (decomp)
Boiling point:
326.8±27.0 °C(Predicted)
Density 
1.337±0.06 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2–8 °C
pka
6.53±0.35(Predicted)
InChI
InChI=1S/C8H10N2O3/c9-4-3-6-1-2-8(11)7(5-6)10(12)13/h1-2,5,11H,3-4,9H2
InChIKey
IUCYCHQMRZWPGT-UHFFFAOYSA-N
SMILES
C1(O)=CC=C(CCN)C=C1[N+]([O-])=O
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

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

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P310Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

AK Scientific
Product number
2361CY
Product name
3-Nitrotyramine
Packaging
100mg
Price
$84
Updated
2021/12/16
AK Scientific
Product number
2361CY
Product name
3-Nitrotyramine
Packaging
250mg
Price
$92
Updated
2021/12/16
AK Scientific
Product number
2361CY
Product name
3-Nitrotyramine
Packaging
1g
Price
$145
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0310191
Product name
3-NITROTYRAMINE
Purity
95.00%
Packaging
5MG
Price
$496.83
Updated
2021/12/16
Ambeed
Product number
A158872
Product name
3-Nitrotyramine
Purity
98%
Packaging
250mg
Price
$95
Updated
2021/12/16
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3-NITROTYRAMINE Chemical Properties,Usage,Production

Definition

ChEBI: 3-nitrotyramine is tyramine substituted at position 3 by a nitro group. It is a member of tyramines and a member of 2-nitrophenols. It is functionally related to a tyramine. It is a tautomer of a 3-nitrotyramine zwitterion.

Synthesis

51-67-2

49607-15-0

General method: suitable phenolic compounds 8a-13a (1 mmol) were mixed with 60% nitric acid (4.8 mmol). The resulting suspension was stirred at room temperature, where compounds 8a and 9a were stirred for 10 min, compounds 10a, 12a, and 13a were stirred for 30 min, and compound 11a was stirred overnight until a deep red solution was formed.HPLC analysis confirmed complete consumption of the starting material and detected three major products corresponding to the nitro derivatives generated by hydroxyl-neighboring and para-nitrosylation of meso-substituted phenols 8a, 10a, and 12a; while para-substituted phenols 9a, 10a, and 12a, and the nitro derivatives generated by hydroxyl neighboring and para nitro derivatives generated by nitration; while only one product was generated from para-substituted phenols 9a, 11a and 13a. The crude products, nitrophenol 8b or 9b, were diluted with water (20 mL) and upsampled onto a Dowex 50W-X2 (200-400 mesh) column (1.5 cm × 6 cm, H+ type, pre-equilibrated with water). The column was first washed with water (100 mL), and then the product was eluted with 2 M hydrochloric acid (20 mL/grade fraction). The grades containing 3-nitrotyramine were combined and evaporated to dryness to give a yellow powder. For the nitration products (10b, 12b, and 13b) of phenols 10a, 12a, and 13a, the reaction mixture was diluted with water (20 mL) and extracted with ethyl acetate (2 × 100 mL). The organic phases were combined, washed with water (2 x 50 mL), dried over anhydrous sodium sulfate and concentrated under reduced pressure. The nitration reaction of compound 11a directly gave orange powder 11b, which was filtered, washed with water and dried under reduced pressure to give dark powder 11b.

References

[1] Molecules, 2014, vol. 19, # 6, p. 8039 - 8050
[2] Patent: WO2016/118770, 2016, A1. Location in patent: Paragraph 0228
[3] Chemistry - A European Journal, 2006, vol. 12, # 3, p. 749 - 757

3-NITROTYRAMINE Preparation Products And Raw materials

Raw materials

Preparation Products

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3-NITROTYRAMINE Suppliers

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Bide Pharmatech Ltd.
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