ChemicalBook--->CAS DataBase List--->199174-24-8

199174-24-8

199174-24-8 Structure

199174-24-8 Structure
IdentificationBack Directory
[Name]

(S)-3-HYDROXYMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
[CAS]

199174-24-8
[Synonyms]

N-Boc-L-beta-prolinol
N-Boc-L-^b-prolinol, 97+%
(S)-1-Boc-3-(hydroxyMethy...
(S)-1-Boc-3-pyrrolidinemethanol
(S)-N-BOC-PYRROLIDINE-3-METHANOL
(S)-1-Boc-3-hydroxymethylpyrrolidine
1-Boc-3(S)-(HydroxyMethyl)Pyrrolidine
(S)-3-HydroxyMethyl-pyrrolidine-1-carboxylic
(S)-1-tert-Butoxycarbonylpyrrolidine-3-methanol
(3S)-3-(Hydroxymethyl)pyrrolidine, N-BOC protected
tert-butyl(S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
tert-butyl (3S)-3-(hydroxyMethyl)pyrrolidine-1-carboxylate
3(S)-HYDROXYMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1,1-dimethylethyl (3S)-3-(hydroxymethyl)-1-pyrrolidinecarboxylate
(S)-3-HYDROXYMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(3S)-3-Hydroxymethylpyrrolidine-1-carboxylic acid tert-butyl ester
tert-Butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate, (3S)-1-(tert-Butox
1-Pyrrolidinecarboxylic acid, 3-(hydroxyMethyl)-, 1,1-diMethylethyl ester, (3S)-
(S)-3-PyrrolidineMethano(3-(S)-HydroxyMethylpyrrolidine, (S)-Pyrrolidin-3-ylMethanol)
tert-Butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate, (3S)-1-(tert-Butoxycarbonyl)-3-(hydroxymethyl)pyrrolidine
[Molecular Formula]

C10H19NO3
[MDL Number]

MFCD03094726
[MOL File]

199174-24-8.mol
[Molecular Weight]

201.26
Chemical PropertiesBack Directory
[Boiling point ]

285-289℃
[density ]

1.084
[storage temp. ]

Sealed in dry,2-8°C
[form ]

liquid
[pka]

14.93±0.10(Predicted)
[color ]

Brown
[Water Solubility ]

Slightly soluble in water.
[InChI]

InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
[InChIKey]

HKIGXXRMJFUUKV-QMMMGPOBSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CC[C@H](CO)C1
[CAS DataBase Reference]

199174-24-8
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

It is used as a pharmaceutical intermediate.
[Synthesis]

Di-tert-butyl dicarbonate

24424-99-5

Pyrrolidine, 3-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1-[(1R)-1-phenylethyl]-, (3S)-

1264942-79-1

(S)-3-HYDROXYMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

199174-24-8

The general procedure for the synthesis of (S)-1-BOC-3-hydroxymethylpyrrolidine from di-tert-butyl dicarbonate and compound (CAS:1264942-79-1) was as follows: 1. 1-[(1S)-1'-phenylethyl]pyrrolidine (8.81 g, 27.6 mmol) was dissolved in 1,2-dichloroethane (75 ml) at room temperature and 1-chloroethyl chloroformate (8.1 ml, 75 mmol) was added to this solution. 2. The resulting mixture was refluxed for 5 hours and then cooled to room temperature. 3. diisopropylethylamine (2.3 ml, 13 mmol) was added to the cooled brown solution and the mixture was refluxed again for 3 hours. 4. After completion of the reaction, the mixture was concentrated and the residue was diluted with ethyl acetate and washed with 1N aqueous hydrochloric acid. 5. The organic layer was dried with anhydrous sodium sulfate and subsequently concentrated under reduced pressure. 6. The residue was dissolved in methanol, an aqueous 1N hydrochloric acid solution was added and the aqueous solution was washed with ethyl acetate. 7. The aqueous solution was alkalized with solid potassium carbonate and the alkaline solution was cooled to 0 °C. 8. tert-Butyl dicarbonate (6.3 g, 29 mmol) was added to tetrahydrofuran (75 ml) at 0 °C. 9. The resulting mixture was stirred for 3 hours and then the organic material was extracted with ethyl acetate. 10. The organic layer was dried with anhydrous sodium sulfate and the solvent was removed under reduced pressure. 11. The residue was purified by silica gel column chromatography (eluent: hexane/ethyl acetate = 3/1 to 1/2) to afford tert-butyl 3-hydroxymethylpyrrolidine-1-carboxylate (2.96 g, 14.7 mmol, 53%) as a colorless oil.

[References]

[1] Patent: WO2011/19090, 2011, A1. Location in patent: Page/Page column 45-46
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-3-HYDROXYMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(199174-24-8)1HNMR
199174-24-8 suppliers list
Company Name: ITIC MEDCHEM(SUZHOU) CO.,LTD.  Gold
Telephone: 0512-68323967 18015559028
Website: http://www.iticmedchem.com/
Company Name: Chengdu Firster Pharmaceutical Co., Ltd.  Gold
Telephone: 19138996873
Website:
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: ChemFuture PharmaTech (Jiangsu) Ltd  
Telephone: 5108538618
Website: http://www.chemfuture.com
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
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: Adamas Reagent, Ltd.  
Telephone: 4006009262 13023226327
Website: www.tansoole.com
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Nanjing Chemlin Chemical Co., Ltd  
Telephone: 025-83697070 13770331960
Website: www.echemlin.cn
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: China DongFan Chemical Co.,LTD  
Telephone: 86-0571-85151182
Website: www.chemicalbook.com/ShowSupplierProductsList14819/0_EN.htm
Company Name: Shanghai Sunway Pharmaceutical Technology Co., Ltd  
Telephone: 13761987713
Website: www.sunwaypharm.cn
Company Name: Dtchem Laboratories,(Gan Su)Co.,Ltd.  
Telephone: 18993961550 18993966060
Website: www.gsdtchem.com/
Company Name: Hangzhou Sage Chemical Co., Ltd.  
Telephone: +86057186818502 13588463833
Website: www.sagechem.com
Company Name: Shanghai Topbiochem Technology Co., Ltd  
Telephone: 021-58170097
Website: www.topbiochem.com
Company Name: Jiangsu Aikon Biopharmaceutical R&D co.,Ltd.  
Telephone: 025-66113011 13913916777
Website: www.aikonchem.com/
Company Name: Shanghai Jian Chao Chemical Technology Co., Ltd.  
Telephone: 150-2103-5486 18017383231
Website:
Tags:199174-24-8 Related Product Information
69610-40-8 83435-58-9 114214-69-6