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4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline

Product Name
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
CAS No.
694499-26-8
Chemical Name
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
Synonyms
PON50;SW-53;SWF-53;AP24592;RMA-315;Ponatinib int2;Ponatinib Impurity 3;Pralsetinib Impurity 1;Intermediate of Ponatinib;4-(4-Methylpiperazinomethyl)-3-
CBNumber
CB92520701
Molecular Formula
C13H18F3N3
Formula Weight
273.3
MOL File
694499-26-8.mol
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4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline Property

Boiling point:
329.1±42.0 °C(Predicted)
Density 
1.227
storage temp. 
under inert gas (nitrogen or Argon) at 2–8 °C
pka
7.55±0.10(Predicted)
form 
Solid
color 
Light yellow to yellow
InChI
InChI=1S/C13H18F3N3/c1-18-4-6-19(7-5-18)9-10-2-3-11(17)8-12(10)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3
InChIKey
ZMWAZMYBMAAMAW-UHFFFAOYSA-N
SMILES
C1(N)=CC=C(CN2CCN(C)CC2)C(C(F)(F)F)=C1
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Safety

HS Code 
2933599590
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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

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

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N-Bromosuccinimide Price

TRC
Product number
M329373
Product name
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
Packaging
5g
Price
$250
Updated
2021/12/16
Apolloscientific
Product number
PC51192
Product name
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
Purity
95+%
Packaging
1g
Price
$17
Updated
2021/12/16
Oakwood
Product number
212607
Product name
4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline
Purity
95%
Packaging
1g
Price
$19
Updated
2021/12/16
SynQuest Laboratories
Product number
3H30-3-3G
Product name
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
Purity
95.0%
Packaging
1g
Price
$28
Updated
2021/12/16
Apolloscientific
Product number
PC51192
Product name
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
Purity
95+%
Packaging
5g
Price
$64
Updated
2021/12/16
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4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline Chemical Properties,Usage,Production

Uses

4-(6-Acryloyloxyhexyloxy)-benzoesure (4-cyanophenylester) can be used as an intermediate in organic synthesis, mainly used in laboratory research and development and in the process of chemical and pharmaceutical synthesis.

Synthesis


4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline Into a solution 4-methyl-1-(4-nitro-2-(trifluoromethyl)benzyl)piperazine (1.5 g, 5 mmol) in MeOH (250 mL) was added Raney Nickel (0.15 g, 10 wt %). The suspension was stirred under hydrogen atmosphere (50 psi) for 24 hrs and monitored by TLC. The reaction mixture was filtered through celite and the filtrate was concentrated under reduced pressure to yield the desired product (1.36 g, 100%). 1H NMR (300 MHz, CDCl3) |?: 7.43-7.46 (1H, d, J=9.0 Hz), 6.91 (1H, s), 6.77-6.80 (1H, d J=9.0 Hz), 3.77 (2H, s), 3.54 (2H, s), 2.53 (8H, brs), 2.34 (3H, s).

storage

Store long-term at 2-8°C.

References

[1] Bioorganic and Medicinal Chemistry, 2010, vol. 18, # 20, p. 7150 - 7163
[2] Patent: CN105461659, 2016, A. Location in patent: Paragraph 0032; 0033; 0034; 0065; 0066; 0067
[3] Patent: WO2015/186137, 2015, A1. Location in patent: Page/Page column 19
[4] Patent: WO2005/51366, 2005, A2. Location in patent: Page/Page column 62
[5] Patent: WO2005/51366, 2005, A2. Location in patent: Page/Page column 62

4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline Preparation Products And Raw materials

Raw materials

Preparation Products

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4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline Suppliers

China 223 India 4 United Kingdom 1 United States 9 Global 237
Accela ChemBio Inc.
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Matrix Scientific
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View Lastest Price from 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline manufacturers

RongNa Biotechnology Co.,Ltd
Product
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline 694499-26-8
Price
US $1.00/g
Min. Order
1g
Purity
99%
Supply Ability
100kg
Release date
2024-06-25
PNP Biotech Co. Ltd
Product
4-(4-Methylpiperazin-1-ylmethyl)-3-trifluoromethylaniline 694499-26-8
Price
US $0.00/KG
Min. Order
25KG
Purity
98%
Supply Ability
Inquiry
Release date
2022-09-19
Dideu Industries Group Limited
Product
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline 694499-26-8
Price
US $1.10/g
Min. Order
1g
Purity
99.9%
Supply Ability
100 Tons Min
Release date
2021-07-05

694499-26-8, 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)anilineRelated Search:

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