ChemicalBook > CAS DataBase List > 1-(4-BOC-piperidyl)-4-iodopyrazole
1-(4-BOC-piperidyl)-4-iodopyrazole
Uses Application- Product Name
- 1-(4-BOC-piperidyl)-4-iodopyrazole
- CAS No.
- 877399-73-0
- Chemical Name
- 1-(4-BOC-piperidyl)-4-iodopyrazole
- Synonyms
- tert-butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate;Crizotinib Impurity 16;CrizotinibIntermediate1;1-(4-BOC-piperidyl)-4-iodopyrazole;1-(4-BOC-piperazino)-4-iodopyrazole;1-(1-Boc-4-piperidinyl)-4-iodopyrazole;1-Boc-4-(4-iodo-1H-pyrazol-1-yl)piperidine;1-(1-Boc-4-piperidinyl)-4-iodopyrazole, 98%;4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate;tert-Butyl 4-(4-iodopyrazolyl)piperidinecarboxylate
- CBNumber
- CB32473791
- Molecular Formula
- C13H20IN3O2
- Formula Weight
- 377.22
- MOL File
- 877399-73-0.mol
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1-(4-BOC-piperidyl)-4-iodopyrazole Property
- Melting point:
- 97 °C
- Boiling point:
- 430.6±35.0 °C(Predicted)
- Density
- 1.60±0.1 g/cm3(Predicted)
- storage temp.
- 2-8°C(protect from light)
- form
- Solid
- pka
- 1.08±0.19(Predicted)
- Appearance
- White to off-white Solid
- Sensitive
- Light Sensitive
- InChI
- InChI=1S/C13H20IN3O2/c1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17/h8-9,11H,4-7H2,1-3H3
- InChIKey
- IONGFFYQZADMPH-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(N2C=C(I)C=N2)CC1
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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
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
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N-Bromosuccinimide Price
TRC
- Product number
- B809635
- Product name
- tert-Butyl4-(4-Iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate
- Packaging
- 25g
- Price
- $130
- Updated
- 2021/12/16
American Custom Chemicals Corporation
- Product number
- HCH0037519
- Product name
- 1-(4-BOC-PIPERAZINO)-4-IODOPYRAZOLE
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $848.93
- Updated
- 2021/12/16
Matrix Scientific
- Product number
- 089887
- Product name
- 1-Boc-4-(4-Iodo-1H-pyrazol-1-yl)piperidine
- Purity
- 95+%
- Packaging
- 5g
- Price
- $1260
- Updated
- 2021/12/16
Matrix Scientific
- Product number
- 089887
- Product name
- 1-Boc-4-(4-Iodo-1H-pyrazol-1-yl)piperidine
- Purity
- 95+%
- Packaging
- 250mg
- Price
- $208
- Updated
- 2021/12/16
AK Scientific
- Product number
- V8549
- Product name
- 1-(4-BOC-piperidyl)-4-iodopyrazole
- Packaging
- 10g
- Price
- $384
- Updated
- 2021/12/16
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1-(4-BOC-piperidyl)-4-iodopyrazole Chemical Properties,Usage,Production
Uses
4-(4-iodo-1H-pyrazol-1-yl)-1-piperidinecarboxylic acid-1,1-dimethyl ethyl ester is a useful research chemical.
Application
4-(4-iodo-1H-pyrazol-1-yl)-1-piperidinecarboxylic acid-1,1-dimethyl ethyl ester is an organic heterocyclic compound that can be used as a pharmaceutical intermediate.
Synthesis
1-(4-BOC-piperidyl)-4-iodopyrazole is prepared by the reaction of 4-Iodopyrazole and 1-Boc-4-methanesulfonyloxypiperidine. The specific synthesis steps are as follows:
To a stirred solution of 4-iodo-lH-pyrazole (8.98 g, 46.28 mmol) in DCM (160 mL) was added NaH (1.67 g, 55.53 mmol, 80percent NaH/mineral oil) portion-wise at 0 °C. The mixture was stirred at 0 °C for 1 hour, then tert-butyl 4-((methylsulfonyl)oxy)piperidine-l- carboxylate (14.22 g, 50.90 mmol) was added. The resulted mixture was stirred at 100 °C for 15 hours, then cooled to rt, quenched with H20 (30 mL) and concentrated in vacuo. The residue was diluted with H20 (150 mL), and the mixture was extracted with EtOAc (100 mL x 5). The combined organic layers were dried over anhydrous Na2S04 and concentrated in vacuo. The residue was purified by a silica gel column chromatography (PE/EtOAc (v/v) = 5/1) to give 1-(4-BOC-piperidyl)-4-iodopyrazole as a white solid (12.25 g, 70.2percent>). MS (ESI, pos. ion) m/z: 322.0 (M-56+1).
References
[1] Patent: WO2014/193647, 2014, A2. Location in patent: Paragraph 0184
[2] Patent: CN104119331, 2018, B. Location in patent: Paragraph 0382; 0387; 0388
[3] Patent: EP2650293, 2013, A1. Location in patent: Paragraph 0195; 0196
[4] Patent: US2008/300273, 2008, A1
[5] Patent: US2008/293769, 2008, A1. Location in patent: Page/Page column 6
1-(4-BOC-piperidyl)-4-iodopyrazole Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 1-(4-BOC-piperidyl)-4-iodopyrazole manufacturers
Henan Aochuang Chemical Co.,Ltd.
- Product
- 1-Piperidinecarboxylic acid, 4-(4-iodo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester 877399-73-0
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-10-08
Henan Fengda Chemical Co., Ltd
- Product
- 1-PIPERIDINECARBOXYLIC ACID 4-(4-IODO-1H-PYRAZOL-1YL)-,1-1-DIMETHYLETHYLESTER 877399-73-0
- Price
- US $200.00-1.00/KG
- Min. Order
- 1KG
- Purity
- 99%, 99.5% Sublimated
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2023-12-31
Zhuozhou Wenxi import and Export Co., Ltd
- Product
- 1-Piperidinecarboxylic acid, 4-(4-iodo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester 877399-73-0
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-10