ChemicalBook--->CAS DataBase List--->142217-77-4

142217-77-4

142217-77-4 Structure

142217-77-4 Structure
IdentificationMore
[Name]

(1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol
[CAS]

142217-77-4
[Synonyms]

(1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cydopentanol
(1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol
[EINECS(EC#)]

1312995-182-4
[Molecular Formula]

C32H33N5O4
[MDL Number]

MFCD09750977
[Molecular Weight]

551.64
[MOL File]

142217-77-4.mol
Chemical PropertiesBack Directory
[Boiling point ]

780.5±70.0 °C(Predicted)
[density ]

1.33
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

Oil
[pka]

13.88±0.70(Predicted)
[color ]

Clear
[InChIKey]

SYPCZZWUNIHLBU-COROXYKFSA-N
[SMILES]

[C@@H]1(O)[C@@H](N2C3C(N=C2)=C(OCC2=CC=CC=C2)N=C(N)N=3)C[C@H](OCC2=CC=CC=C2)[C@H]1COCC1=CC=CC=C1
[CAS DataBase Reference]

142217-77-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Flame Over Circle (GHS03)Corrosion (GHS05)Environment (GHS09)
GHS03,GHS05,GHS09
[Signal word ]

Warning
[Hazard statements ]

H271-H303-H318-H410
[Precautionary statements ]

P221-P270-P280-P305+P351+P338-P306+P360-P310-P370+P378r-P371+P380+P375-P403-P501c
[HS Code ]

29335990
Hazard InformationBack Directory
[Uses]

(2R,3R,5R)-5-[2-Amino-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-cyclopentanol is an intermediate in the preparation of ent-Entecavir (E558905).
[Synthesis]

(1S,2R,3S,5R)-3-(Phenymethyloxy)-2-(phenylmethoxy)methyl-6-oxabicyclo[3.1.0]hexane

110567-22-1

6-O-Benzylguanine

19916-73-5

(1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol

142217-77-4

To the reaction flask was added 100 mL of toluene and 0.1 g of tetrabutylammonium bromide and stirred for 10 minutes. Subsequently, 50 g of 30% KOH aqueous solution and 10 g of (1S,2R,3S,5R)-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-6-oxabicyclo[3.1.0]hexane were added and stirred until completely dissolved. The reaction mixture was warmed to 80 °C and stirred over heat for 6 hours. The reaction progress was monitored by TLC during the reaction (unfolding agent: ethyl acetate/n-heptane=1:1, (1S,2R,3S,5R)-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-6-oxabicyclo[3.1.0]hexane had an Rf value of 0.7, and the target product (1S,2S,3S,5S)-5-(2-amino-6-benziloxy-9H- purin-9-yl)-3-benzyloxy-2-benzyloxymethylcyclopentanol had an Rf value of 0.3) to ensure that the residue of the raw material was less than 1%. After completion of the reaction, the heating was stopped and the reaction mixture was allowed to stand and stratify. The aqueous layer was separated and the organic layer was washed twice with potable water. The toluene solution was concentrated and the solvent was removed to give 12 g of crude product. After purification by column chromatography, the eluate was concentrated and dried to give 6 g of white solid target product with 99.9% purity by HPLC (target product retention time 6 min, raw material retention time 10 min).

[References]

[1] Bioorganic and Medicinal Chemistry Letters, 1997, vol. 7, # 2, p. 127 - 132
[2] Patent: US5206244, 1993, A
[3] Patent: CN107513065, 2017, A. Location in patent: Paragraph 0013-0014; 0015-0016; 0017-0018
Spectrum DetailBack Directory
[Spectrum Detail]

(1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol(142217-77-4)1HNMR
142217-77-4 suppliers list
Company Name: Cangzhou Dafeng Chemical Co., Ltd  Gold
Telephone: 18112498720
Website: http://www.bestbio.net
Company Name: Shanghai Sinch Parmaceuticals Tech. Co. Ltd.  
Telephone: +86-21-54098501
Website: www.sinch.com.cn
Company Name: Adamas Reagent, Ltd.  
Telephone: 4006009262 13023226327
Website: www.tansoole.com
Company Name: Nanjing Chemlin Chemical Co., Ltd  
Telephone: 025-83697070 13770331960
Website: www.echemlin.cn
Company Name: XiaoGan ShenYuan ChemPharm co,ltd  
Telephone: 15527621225; 15527621225
Website: http://www.farchem.com/
Company Name: China Langchem Inc.  
Telephone: 0086-21-58956006
Website: www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm
Company Name: Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd  
Telephone: 13801189771 13801208576
Website: www.chinazhongshuo.com
Company Name: Xi'an Manareco New Materials Co., Ltd.  
Telephone: 029-68669089-8800 13087509181
Website: www.xarlm.com
Company Name: Tianjin Yao Technology Development Co., Ltd.  
Telephone: 022-18902014291 18902014291
Website: www.chemicalbook.com/showsupplierproductslist15702/0_en.htm
Company Name: Shanghai Witofly Chemical Co.,Ltd  
Telephone:
Website: www.witofly.com
Company Name: Hubei XinyuanShun Chemical Co., Ltd.  
Telephone: 13971561712, 13995564702, 027-50664929
Website: www.chemicalbook.com/ShowSupplierProductsList16209/0_EN.htm
Company Name: Eastbang Pharmaceuticals Technology Co., Ltd.  
Telephone: +86 (20) 28996708,29078958,28139708,29076128,28133708,28139728,28139738,28133718,021-31663278,021-31663578,021-60538387
Website: www.chemicalbook.com/ShowSupplierProductsList13633/0_EN.htm
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: NINGBO INNO PHARMCHEM CO.,LTD.  
Telephone: 86-574-27787657
Website: www.dearchem.com
Company Name: Shanghai YuLue Chemical Co., Ltd.  
Telephone: 021-60345187 13671753212
Website: https://www.chemicalbook.com/ShowSupplierProductsList16365/0_EN.htm
Company Name: Nanjing Chalf-Pharm Technology Co., Ltd.  
Telephone: 025-57018978 18251899859
Website: http://www.chalf-pharm.com
Company Name: Dongyang Honsen Co., Limited  
Telephone: +86-0579-86846643 18072368515
Website: www.honsentech.com.cn
Company Name: Credit Asia Chemical Co., Ltd.  
Telephone: +86 (21) 61124340
Website: www.chemicalbook.com/ShowSupplierProductsList16523/0_EN.htm
Tags:142217-77-4 Related Product Information
58-15-1 96-41-3 3416-24-8 103-90-2 515-74-2 5329-14-6 60-32-2 77-86-1 56-40-6 142217-69-4 870614-82-7 142217-80-9 209216-23-9 204845-95-4 142217-81-0 1367369-76-3 1367369-79-6 1333204-94-6