ChemicalBook--->CAS DataBase List--->165528-81-4

165528-81-4

165528-81-4 Structure

165528-81-4 Structure
IdentificationMore
[Name]

(2-PIPERIDIN-4-YL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
[CAS]

165528-81-4
[Synonyms]

(2-PIPERIDIN-4-YL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
4-(2-BOC-AMINOETHYL)-1-PIPERIDINE
4-(2-BOC-AMINOETHYL) PIPERIDINE
4-(BOC-AMINOETHYL)PIPERIDINE
4-(N-BOC-2-AMINOETHYL)PIPERIDINE
TERT-BUTYL (2-PIPERIDIN-4-YLETHYL)CARBAMATE
4-(2-Aminoethyl)piperidine, N2-BOC protected
[Molecular Formula]

C12H24N2O2
[MDL Number]

MFCD01318373
[Molecular Weight]

228.33
[MOL File]

165528-81-4.mol
Chemical PropertiesBack Directory
[Boiling point ]

337.3±15.0 °C(Predicted)
[density ]

0.971±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

liquid
[pka]

12.86±0.46(Predicted)
[color ]

Colourless to light yellow
[InChI]

InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-9-6-10-4-7-13-8-5-10/h10,13H,4-9H2,1-3H3,(H,14,15)
[InChIKey]

RQRMFFGCUUGYPC-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)NCCC1CCNCC1
[CAS DataBase Reference]

165528-81-4(CAS DataBase Reference)
Questions And AnswerBack Directory
[Uses]

4-(2-BOC-aminoethyl)piperidine is mainly used as a pharmaceutical intermediate, and some literature reports that it can be used to prepare SHP2 inhibitors.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317-H319
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xi
[HS Code ]

2933320000
Spectrum DetailBack Directory
[Spectrum Detail]

(2-PIPERIDIN-4-YL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER(165528-81-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

Carbamic acid, N-[2-(4-pyridinyl)ethyl]-, 1,1-dimethylethylester

109573-05-9

(2-PIPERIDIN-4-YL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER

165528-81-4

General procedure for the synthesis of 4-(2-Boc-aminoethyl)piperidine from tert-butyl N-[2-(pyridin-4-yl)ethyl]carbamate: tert-butyl N-[2-(pyridin-4-yl)ethyl]carbamate (26.9 g, 120.9 mmol) was dissolved in methanol (370 mL) and cooled to 0 °C. Aqueous 6N hydrochloric acid (20.2 mL, 120.9 mmol) was slowly added at 0 °C. Subsequently, platinum (IV) oxide (1.37 g, 6.05 mmol) was added to the reaction mixture at room temperature and the hydrogenation reaction was carried out under hydrogen (1000 psi) atmosphere for 24 hours. Upon completion of the reaction, the mixture was filtered through an Arbocel pad and the filter cake was washed sequentially with methanol (300 mL) and water (100 mL). The filtrate was concentrated under reduced pressure. The concentrated crude product was diluted with saturated aqueous sodium bicarbonate (150 mL) and extracted with dichloromethane (50 mL). The organic layer was washed with water (2 x 50 mL). The aqueous layers were combined, alkalized with 30% aqueous sodium hydroxide (30 mL) and then extracted with dichloromethane (8 x 200 mL). All organic layers were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give 4-(2-Boc-aminoethyl)piperidine as a clear viscous oil (26.8 g, 97% yield). The product was characterized by 1H NMR (400 MHz, CDCl3) and LCMS: 1H NMR δ 1.17 (m, 2H), 1.41 (m, 10H), 1.68 (m, 2H), 2.58 (m, 2H), 3.09 (m, 6H), 4.53 (s, 1H); LCMS Rt = 1.73 min, MS m/z 229 [M + H ]+.

[References]

[1] Patent: WO2015/181797, 2015, A1. Location in patent: Page/Page column 132
[2] Patent: WO2004/87145, 2004, A2. Location in patent: Page/Page column 31
[3] Bioorganic and Medicinal Chemistry Letters, 1999, vol. 9, # 9, p. 1317 - 1322
[4] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 17, p. 2325 - 2330
[5] Journal of Medicinal Chemistry, 2006, vol. 49, # 14, p. 4116 - 4126
165528-81-4 suppliers list
Company Name: Chembon Pharmaceutical Co., Ltd.
Tel: +86-28-8425-2981
Website: www.chembon.com.cn
Company Name: ATK CHEMICAL COMPANY LIMITED
Tel: +undefined-21-51877795
Website: www.atkchemical.com
Company Name: Accela ChemBio Inc.
Tel: +1-858-6993322 +86-18019713315 , +86-18019713315
Website: www.accelachem.com/
Company Name: Alchem Pharmtech,Inc.
Tel: 8485655694
Website: www.chemicalbook.com/ShowSupplierProductsList454175/0_EN.htm
Company Name: CONIER CHEM AND PHARMA LIMITED
Tel:
Website: http://www.conier.com/
Company Name: career henan chemical co
Tel: +86-0371-86658258
Website: www.coreychem.com
Company Name: Fuxin Pharmaceutical
Tel: +86-021-021-50872116
Website: http://www.fuxinpharm.com
Company Name: Guangzhou Yuheng Pharmaceutical Technology Co., Ltd
Tel: +8613580539051 , +8613580539051
Website: www.yuhengpharm.com
Company Name: Hefei Hirisun Pharmatech Co., Ltd
Tel: +8615056975894 , +8615056975894
Website: www.hirisunpharm.com
Company Name: Dayang Chem (Hangzhou) Co.,Ltd.
Tel: +86-0571-88938639 17705817739 , 17705817739
Website: www.dycnchem.com/
Company Name: Changzhou Guiding Bio-Tech. Co.,Ltd.
Tel: +86-519-519-86686860 +86-18795626222 , +86-18795626222
Website: www.guiding-bio.com
Company Name: Labnetwork lnc.
Tel: +86-27-50766799 +86-18062016861 , +86-18062016861
Website: www.labnetwork.com
Company Name: Alfa Chemistry
Tel: +1-5166625404;
Website: https://www.alfa-chemistry.com/
Company Name: Hefei TNJ Chemical Industry Co.,Ltd.
Tel: +86-0551-65418684 +86-18949823763 , +86-18949823763
Website: www.tnjchem.com
Company Name: PT CHEM GROUP LIMITED
Tel: +86-85511178; +86-85511178 , +86-85511178
Website: https://www.chemicalbook.com/manufacturer/henan-lihao-chem-plant-25020/
Company Name: GIHI CHEMICALS CO.,LIMITED
Tel: +86-571-86217390; +8618058761490 , +8618058761490
Website: https://www.gihichem.com/
Company Name: HANGZHOU LEAP CHEM CO., LTD.
Tel: +86-571-87711850 +86-15355479329 , +86-15355479329
Website: www.leapchem.com
Company Name: Sichuan Biosynce Pharmatech Co., Ltd.
Tel:
Website: www.biosynce-product.com
Tags:165528-81-4 Related Product Information
7037-49-2 169750-93-0 121492-06-6 320580-88-9 893423-62-6 165528-81-4