ChemicalBook CAS DataBase List 571188-59-5

571188-59-5

Name	OTAVA-BB 1207229
CAS	571188-59-5
EINECS(EC#)	695-268-4
Molecular Formula	C14H22N4O2
MDL Number	MFCD11594962
Molecular Weight	278.354
MOL File	571188-59-5.mol

Chemical Properties

Melting point	130-132℃
Boiling point	454.1±45.0 °C(Predicted)
density	1.182
vapor pressure	0-0Pa at 20-25℃
storage temp.	Keep in dark place,Inert atmosphere,Room temperature
solubility	DMSO (Slightly), Methanol (Very Slightly)
form	Solid
pka	7.36±0.26(Predicted)
color	Dark Yellow
Sensitive	Air Sensitive
InChI	InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)11-4-5-12(15)16-10-11/h4-5,10H,6-9H2,1-3H3,(H2,15,16)
InChIKey	RMULRXHUNOVPEI-UHFFFAOYSA-N
SMILES	N1(C(OC(C)(C)C)=O)CCN(C2=CC=C(N)N=C2)CC1
LogP	1.6-1.8 at 35℃ and pH7-9

Safety Data

HS Code

2933599590

Hazard Information

Description

Tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate is a pharmaceutical intermediate compound that can be used to synthesize the targeted cancer drug Ribociclib for the treatment of ER-positive and HER2-negative breast cancer.

Uses

4-(6-Amino-3-pyridyl)-1-Boc-piperazine is used as an organic chemical synthesis intermediate.

Preparation

4- (6-Nitro-pyridin-3-yl)-piperazine-1 -carboxylic acid ie f-butyl ester and Pd/C in ethanol is stirred with an H2 balloon for 3 h. The product tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate is obtained through purification.

tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate

Hazard

Causes skin irritation
Causes serious eye irritation
May cause respiratory irritation

Pharmaceutical Applications

tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate is an organic compound. It has been shown to inhibit the growth of cancer cells in vitro and in vivo, and is being investigated as a potential treatment for breast cancer.

Synthesis

Tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate

571189-16-7

571188-59-5

General Steps: Example 101h Synthesis of tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate 101h To a 500 mL triple-necked vial under nitrogen protection was added tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate 101g (3.1 g, 10 mmol), 10% palladium-carbon catalyst (50% wet, 1.0 g) and anhydrous ethanol (100 mL). The reaction system was evacuated and filled with hydrogen, and the reaction was stirred at room temperature for 16 hours. Upon completion of the reaction, the hydrogen was removed by evacuation and refilled with nitrogen for protection. The reaction mixture was filtered through a diatomaceous earth pad to remove the catalyst and the filtrate was concentrated under reduced pressure to give the target compound 101h (2.7 g, 97% yield). Mass spectral data: MS: [M + H]+ 279.

References

[1] Bioorganic and Medicinal Chemistry, 2008, vol. 16, # 6, p. 3125 - 3140
[2] Patent: WO2016/30439, 2016, A1. Location in patent: Page/Page column 30
[3] Patent: WO2011/140488, 2011, A1. Location in patent: Page/Page column 112; 270
[4] Patent: US2013/116262, 2013, A1. Location in patent: Paragraph 0315
[5] Patent: EP2773638, 2015, B1. Location in patent: Paragraph 0170; 0171; 1405

Questions And Answer

Spectrum Detail

Supplier

Hangzhou FST Pharmaceutical Co., Ltd

Telephone0571-88938669 15158827183

Websitehttp://www.fstpharm.com

JIANGXI HANHE PHARMACEUTICAL CO.,LTD

Telephone 18721221949

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList1956719/0_EN.htm

TIANJIN PHARMACN MEDICAL TECHNOLOGY CO.,LTD.

Telephone022-60189726 18812034280

Websitehttp://www.pharmacn.com/

Tianjin Branch Chong pharmaceutical intermediates Co., Ltd.

Telephone022-60116533 13207668525

Websitehttp://www.scipharmacn.com

hongqing Huafeng Pharmaceutical Technology Co., LTD

Telephone23-67950001 13883380852

Websitehttp://www.cqhfpharm.com

Shandong Zhongke Taidou Chemical Co., Ltd.

Telephone0531-88682301 18595278760

Websitehttp://www.sdzktd.com/

Jinan Daen Pharmaceutical Technology Co., Ltd

Telephone0531-68657833 15553112864

Websitehttp://www.daenpharm.com

Shanghai Haoyuan Chemexpress Co., Ltd.

Telephone021-58950125

Websitehttps://www.chemexpress.com.cn

HONEST PHARM CO.,LTD.

Telephone0531-59840128 19353175568

Websitehttp://www.jnhonestpharm.com

Shanghai Haohong Pharmaceutical Co., Ltd.

Telephone400-8210725 400821072

Websitehttp://www.leyan.com

Shanghai Boyle Chemical Co., Ltd.

Telephone

Websitehttp://www.boylechem.com

Chemvon Biotechnology Co., Ltd

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Websitehttp://www.chemvon.com

Alfa Aesar

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TCI (Shanghai) Development Co., Ltd.

Telephone021-67121386

Websitehttps://www.tcichemicals.com/CN/zh/

BeiJing Hwrk Chemicals Limted

Telephone0757-86329057 18934348241

Websitehttp://www.hwrkchemical.com/

Energy Chemical

Telephone021-021-58432009 400-005-6266

Websitehttp://www.energy-chemical.com

Beijing Ouhe Technology Co., Ltd

Telephone010-82967028 13522913783

Websitehttp://www.ouhetech.cn/

Shanghai Scientia Pharmaceutical Technology Co., Ltd.

Telephone21-21-54301573 13917723525

Websitehttp://www.scientiapharm.com.cn

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571188-59-5

Chemical Properties

Safety Data

Hazard Information

Description

Uses

Preparation

Hazard

Pharmaceutical Applications

Synthesis

References

Questions And Answer

Physical Form

Spectrum Detail

Supplier

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