ChemicalBook--->CAS DataBase List--->939398-48-8

939398-48-8

939398-48-8 Structure

939398-48-8 Structure
IdentificationBack Directory
[Name]

3,3-Difluorocyclopentanamine hydrochloride, 98%
[CAS]

939398-48-8
[Synonyms]

3,3-difluorocyclopentan-1-aMine
3,3-difluorocyclopentanaMine HCl
3,3-difluorocyclopentan-1-amine hydrochloride
1. 3,3-Difluorocyclopentanamine hydrochloride
3,3-Difluorocyclopentanamine hydrochloride - D7892
[Molecular Formula]

C5H10ClF2N
[MDL Number]

MFCD15526665
[MOL File]

939398-48-8.mol
[Molecular Weight]

157.59
Chemical PropertiesBack Directory
[storage temp. ]

Inert atmosphere,2-8°C
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C5H9F2N.ClH/c6-5(7)2-1-4(8)3-5;/h4H,1-3,8H2;1H
[InChIKey]

IIUHMNFTPGBLCX-UHFFFAOYSA-N
[SMILES]

FC1(CCC(N)C1)F.Cl
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H319-H302-H315
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Spectrum DetailBack Directory
[Spectrum Detail]

3,3-Difluorocyclopentanamine hydrochloride, 98%(939398-48-8)1HNMR
3,3-Difluorocyclopentanamine hydrochloride, 98%(939398-48-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

benzyl 3,3-difluorocyclopentylcarbamate

939385-02-1

3,3-Difluorocyclopentanamine hydrochloride, 98%

939398-48-8

Benzyl 3N-difluorocyclopentylcarbamate (1.5 g, 5.88 mmol) was used as a raw material, which was dissolved in 6N HCl (6 mL) and the reaction was heated at 100 °C for 20 hours. After completion of the reaction, the mixture was cooled to room temperature and the brown solution was extracted with ether (2 x 2 mL) to remove unreacted feedstock and toluene. The aqueous phase was dried over vacuum heat to afford 3,3-difluorocyclopentylamine hydrochloride as a light brown solid (0.79 g, 85% yield). The structure of the product was confirmed by the following characterization data: 1H NMR (MeOD-d4, 400 MHz) δ: 4.79 (m, 1H), 2.62 (m, 1H), 2.32 (m, 2H), 2.18 (m, 2H), 1.87 (m, 1H); 13C NMR (MeOD-d4, 400 MHz) δ: 131.4 (t), 41.0 (t), 34.8 (t), 28.9; 19F NMR (MeOD-d4, standard CFCl3, 400 MHz) δ: -93.0 (m, 2F).LC/MS analysis showed the [M + H]+ peak was located at 121.9.

[References]

[1] Patent: WO2013/107405, 2013, A1. Location in patent: Page/Page column 45
[2] Patent: US2015/87600, 2015, A1. Location in patent: Page/Page column
[3] Patent: US2007/161685, 2007, A1. Location in patent: Page/Page column 118-119
939398-48-8 suppliers list
Company Name: Chengdu 3S Pharmaceutical Technology Co., Ltd.  Gold
Telephone: 028-62577698; 19950139520
Website: http://www.3s-chem.com
Company Name: Shanghai Boyle Chemical Co., Ltd.  
Telephone:
Website: www.boylechem.com
Company Name: PharmaBlock Sciences (Nanjing),Inc.  
Telephone: 025-86918202 4000255188
Website: http://www.pharmablock.com/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Jia Xing Isenchem Co.,Ltd  
Telephone: 0573-85285100 18627885956
Website: https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Heterochem  
Telephone: 027-88041443 13072715837
Website: www.hetero-chem.com
Company Name: Shanghai Jian Chao Chemical Technology Co., Ltd.  
Telephone: 150-2103-5486 18017383231
Website:
Company Name: Shanghai XIYU Chemical Technology Co.,Ltd.  
Telephone: 021-15000143735 15221126179
Website: https://www.chemicalbook.com/ShowSupplierProductsList16192/0_EN.htm
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: Tianjin Anhao Biological Technology Co., Ltd.  
Telephone:
Website: www.glsyntech.com
Company Name: Shanghai HuanChuan Industry Co.,Ltd.  
Telephone: 021-61478794
Website: www.hcshhai.com
Company Name: Struchem Co., Ltd.  
Telephone: 0512-63009836 18994340901
Website: http://www.beidapharma.com
Company Name: SPIRO PHARMA  
Telephone:
Website: www.spiropharma.com.cn
Company Name: Shanghai YuanYe Biotechnology Co., Ltd.  
Telephone: 18916372613
Website: www.shyuanye.com
Company Name: Amadis Chemical Company Limited  
Telephone: 571-89925085
Website: http://www.amadischem.com
Company Name: Shanghai Huaxing Biological Technology Co., Ltd.  
Telephone: 18621295758; 18621295758
Website: https://www.chemicalbook.com/ShowSupplierProductsList19957/0_EN.htm
Company Name: Shanghai Pingguo Pharmaceutical Co., Ltd.  
Telephone: 021-20432229
Website: www.chemicalbook.com/ShowSupplierProductsList19971/0_EN.htm
Tags:939398-48-8 Related Product Information
1184919-69-4 1408148-48-0 1215071-23-0 1117936-64-7 932706-21-3 2088965-72-2