ChemicalBook > CAS DataBase List > 4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester

4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester

Product Name
4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester
CAS No.
877399-50-3
Chemical Name
4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester
Synonyms
CRIXOTINIB-D;1-Boc-4-(4-br;Crizotinib Impurity 4;1-(4-BOC-Piperidino)-4-bromopyrazole;1-Boc-4-(4-broMopyrazol-1-yl)piperidine;1-Boc-4-(4-bromo-1-pyrazolyl)piperidine;N-BOC-4-(4-BROMOPYRAZOL-1-YL)PIPERIDINE;1-(4-Boc-1-piperidinyl)-4-bromopyrazole;1-Boc-4-(4-bromo-1H-pyrazol-1-yl)piperidine;4-Bromo-1-(N-boc-piperidin-4-yl)-1H-pyrazole
CBNumber
CB21504512
Molecular Formula
C13H20BrN3O2
Formula Weight
330.22
MOL File
877399-50-3.mol
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4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester Property

Melting point:
77.0 to 81.0 °C
Boiling point:
411.5±35.0 °C(Predicted)
Density 
1.43
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
solubility 
soluble in Methanol
pka
0.92±0.19(Predicted)
form 
Solid
color 
Off-white
InChI
1S/C13H20BrN3O2/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
IYNZAVDBHAQODX-UHFFFAOYSA-N
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)n2cc(Br)cn2
CAS DataBase Reference
877399-50-3
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Safety

Hazard Codes 
Xn
Risk Statements 
22
HS Code 
2933399990
Storage Class
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 Oral
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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

TCI Chemical
Product number
B4391
Product name
tert-Butyl 4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylate
Purity
>98.0%(HPLC)(T)
Packaging
1g
Price
$58
Updated
2024/03/01
TCI Chemical
Product number
B4391
Product name
tert-Butyl 4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylate
Purity
>98.0%(HPLC)(T)
Packaging
5g
Price
$191
Updated
2024/03/01
TRC
Product number
B662025
Product name
1-(4-BOC-Piperidino)-4-bromopyrazole
Packaging
250mg
Price
$55
Updated
2021/12/16
Matrix Scientific
Product number
083924
Product name
tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate
Purity
97%
Packaging
1g
Price
$55
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB34117
Product name
4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester
Packaging
5G
Price
$60
Updated
2021/12/16
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4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester Chemical Properties,Usage,Production

Synthesis

2075-45-8

141699-59-4

877399-50-3

General procedure for the synthesis of tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate from 4-bromopyrazole and tert-butyl 4-((methylsulfonyl)oxy)piperidine-1-carboxylate: 2.08 kg of cesium carbonate and 0.78 kg of 4-bromopyrazole were dissolved in 4 liters of N-methyl pyrrolidinone, and heated to 80°C. Subsequently, 2.08 kg of cesium carbonate and 0.78 kg of 4-bromopyrazole were dissolved in 5 liters of N-methyl pyrrolidinone. 1.8 kg of tert-butyl 4-((methylsulfonyl)oxy)piperidine-1-carboxylate was added to the reaction mixture and the reaction lasted for 12 hours. After completion of the reaction, it was cooled to room temperature, 50 liters of methyl tert-butyl ether and 50 liters of water were added and stirred for 1 hour. After separating the organic phase, the organic phase was washed 4 times with 20 liters of water, then dried with 50% hexane and stirred for 2 hours at room temperature. Finally, it was filtered and dried to give 1.35 kg of tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate in 77% yield.

References

[1] Patent: CN106317024, 2017, A. Location in patent: Paragraph 0060; 0061
[2] Journal of Medicinal Chemistry, 2011, vol. 54, # 12, p. 4092 - 4108
[3] Patent: WO2015/81257, 2015, A2. Location in patent: Page/Page column 81
[4] Tetrahedron Letters, 2014, vol. 55, # 9, p. 1528 - 1531
[5] Patent: US2006/46991, 2006, A1. Location in patent: Page/Page column 64-65

4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester Preparation Products And Raw materials

Raw materials

Preparation Products

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4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester Suppliers

Chembest Research Laboratories Limited
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021-20908456
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021-58180499
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sales@BioChemBest.com
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China
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TCI (Shanghai) Development Co., Ltd.
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021-67121386
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021-67121385
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Sales-CN@TCIchemicals.com
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China
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Energy Chemical
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JinYan Chemicals(ShangHai) Co.,Ltd.
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13817811078
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sales@jingyan-chemical.com
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Pure Chemistry Scientific Inc.
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Chembon Pharmaceutical Co., Ltd.
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+86-28-84252965
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sales@chembon.com.cn
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Jinan Trio PharmaTech Co., Ltd.
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0531-88811783
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+86 (531) 55696010 QQ 1762738062
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Shanghai Ennopharm Co., Ltd.
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View Lastest Price from 4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester manufacturers

Shaanxi Dideu New Materials Co. Ltd
Product
4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester 877399-50-3
Price
US $0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1000kg
Release date
2025-06-29
Shaanxi Dideu Medichem Co. Ltd
Product
1-(4-BOC-Piperidino)-4-broMopyrazole 877399-50-3
Price
US $0.00-0.00/KG
Min. Order
10mg
Purity
99%HPLC
Supply Ability
2000tons
Release date
2020-01-17
Henan Fengda Chemical Co., Ltd
Product
tert-butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate 877399-50-3
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

877399-50-3, 4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl esterRelated Search:


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