4-(1H-PYRAZOL-1-YL)BENZYLAMINE
- Product Name
- 4-(1H-PYRAZOL-1-YL)BENZYLAMINE
- CAS No.
- 368870-03-5
- Chemical Name
- 4-(1H-PYRAZOL-1-YL)BENZYLAMINE
- Synonyms
- AKOS B014367;BUTTPARK 98\50-46;ART-CHEM-BB B014367;ART-CHEM-BB B020480;CHEMBRDG-BB 4003287;4-(1-PYRAZOLYL)BENZYLAMINE;4-PYRAZOL-1-YL-BENZYLAMINE;4-(1H-pyrazol-1-)benzylamine;4-(1H-PYRAZOL-1-YL)BENZYLAMINE;4-(1H-pyrazol-1-yl)benzylamine97%
- CBNumber
- CB0308452
- Molecular Formula
- C10H11N3
- Formula Weight
- 173.21
- MOL File
- 368870-03-5.mol
4-(1H-PYRAZOL-1-YL)BENZYLAMINE Property
- Melting point:
- 94-95°C
- Boiling point:
- 307.1±25.0 °C(Predicted)
- Density
- 1.16±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.89±0.10(Predicted)
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C10H11N3/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8,11H2
- InChIKey
- AVKMXPDYQVKSFF-UHFFFAOYSA-N
- SMILES
- C1(CN)=CC=C(N2C=CC=N2)C=C1
- CAS DataBase Reference
- 368870-03-5
Safety
- Hazard Codes
- C,Xi
- Risk Statements
- 34-41-37/38
- Safety Statements
- 26-36/37/39-39
- RIDADR
- 2735
- Hazard Note
- Corrosive
- HS Code
- 2921490090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H314Causes severe skin burns and eye damage
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P309+P311IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
N-Bromosuccinimide Price
- Product number
- P846908
- Product name
- (4-(1H-Pyrazol-1-yl)phenyl)methanamine
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- OR23296
- Product name
- [4-(1H-Pyrazol-1-yl)phenyl]methylamine
- Packaging
- 250mg
- Price
- $124
- Updated
- 2021/12/16
- Product number
- X2141
- Product name
- 4-(1H-Pyrazol-1-yl)benzylamine
- Packaging
- 1g
- Price
- $131
- Updated
- 2021/12/16
- Product number
- 3H30-1-W2
- Product name
- [4-(1H-Pyrazol-1-yl)phenyl]methylamine
- Packaging
- 250mg
- Price
- $136
- Updated
- 2021/12/16
- Product number
- OR23296
- Product name
- [4-(1H-Pyrazol-1-yl)phenyl]methylamine
- Packaging
- 1g
- Price
- $201
- Updated
- 2021/12/16
4-(1H-PYRAZOL-1-YL)BENZYLAMINE Chemical Properties,Usage,Production
Synthesis
25699-83-6
368870-03-5
General procedure for the synthesis of 4-(1H-pyrazolyl)benzenemethanamine from 4-(1H-pyrazolyl)benzonitrile: To 4-(1H-pyrazolyl)benzonitrile (1.46 g, 8.63 mmol) was added a tetrahydrofuran solution (93 ml, 93 mmol) of 1 M borane-tetrahydrofuran complex and heated to reflux. After 16 hours of reaction, methanol (14 ml) was added to the reaction solution, which was subsequently concentrated under reduced pressure. To the residue 6N hydrochloric acid (265 ml) was added and heating to reflux was continued for 3 hours. After completion of the reaction, the solution was concentrated under reduced pressure and a small amount of water was added. The pH was adjusted to 11 with 30% aqueous sodium hydroxide under cooling in an ice bath and subsequently extracted with dichloromethane. The organic layer was separated, dried over anhydrous sodium sulfate and concentrated under reduced pressure. The resulting residue was purified by silica gel column chromatography (eluent: chloroform:methanol:28% ammonia = 90:10:1, V/V/V), the fraction containing the target compound was collected and concentrated under reduced pressure to afford the title compound 4-(1H-pyrazolyl)benzylamine (1.24 g, 83% yield) as a light yellow solid. Mass spectrum (CI, m/z): 174 (M++1). 1H-NMR spectrum (CDCl3, ppm): 7.91 (dd, J=2.5,0.5Hz, 1H), 7.72 (d, J=1.6Hz, 1H), 7.69-7.63 (m, 2H), 7.44-7.37 (m, 2H), 6.46 (dd, J=2.5, 1.6Hz, 1H). 1.6 Hz, 1H), 3.91 (s, 2H).
References
[1] Patent: EP2264009, 2010, A1. Location in patent: Page/Page column 103
[2] Patent: EP2415763, 2012, A1. Location in patent: Page/Page column 105
[3] Patent: WO2017/87837, 2017, A1. Location in patent: Paragraph 00270
[4] Patent: US2013/123281, 2013, A1. Location in patent: Paragraph 0127
[5] Patent: US9301951, 2016, B2. Location in patent: Page/Page column 231
4-(1H-PYRAZOL-1-YL)BENZYLAMINE Preparation Products And Raw materials
Raw materials
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