ChemicalBook--->CAS DataBase List--->185815-59-2

185815-59-2

185815-59-2 Structure

185815-59-2 Structure
IdentificationBack Directory
[Name]

3-isobutylglutaric anhydride
[CAS]

185815-59-2
[Synonyms]

Pregabalin Impurity 71
Pregabalin Pyrandione IMP
3-isobutylglutaric anhydride
Pregabalin Pyrandione Impurity
4-(2-methylpropyl)oxane-2,6-dione
4-isobutyl-dihydro-3H-pyran-2,6-dione
4-Isobutyldihydro-2H-pyran-2,6(3H)-dione
3-isobutylglutaric anhydride ISO 9001:2015 REACH
Dihydro-4-(2-methylpropyl)-2H-pyran-2,6(3H)-dione
2H-Pyran-2,6(3H)-dione,dihydro-4-(2-Methylpropyl)-
[Molecular Formula]

C9H14O3
[MDL Number]

MFCD27946568
[MOL File]

185815-59-2.mol
[Molecular Weight]

170.21
Chemical PropertiesBack Directory
[Boiling point ]

279.3±9.0 °C(Predicted)
[density ]

1.054
[storage temp. ]

Storage temp. 2-8°C
[Appearance]

Yellow to brown Liquid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2917198090
Hazard InformationBack Directory
[Uses]

3-Isobutylglutaric anhydride is an impurity of Pregabalin (P704800), a ligand for the alpha-2-delta subunit of voltage-gated calcium channels that exhibits anticonvulsant and analgesic activity.
[Synthesis]

3-isobutylglutaric acid

75143-89-4

3-isobutylglutaric anhydride

185815-59-2

General procedure for the synthesis of 4-isobutyldihydro-2H-pyran-2,6(3H)-dione from 3-isobutylglutaric acid: 3-isobutylglutaric acid (50 g, 266 mmol) was dissolved in propionic anhydride (130 ml), and the reaction mixture was heated and refluxed for 6 h at 140-145 °C. Upon completion of the reaction, propionic acid and unreacted propionic anhydride were removed by distillation under reduced pressure (30-60 °C/15 mm Hg). Subsequently, the product was collected at 100-105 °C/0.5 mm Hg to afford 4-isobutyldihydro-2H-pyran-2,6(3H)-dione as a yellow oil in a yield of 41 g (91% yield) with a GC purity of >98% (HP-1,25 m, 70 kPa, gradient 70-240 °C, 15 °C/min). The structure of the product was confirmed by 1H NMR (CDCl3) and 13C NMR (CDCl3): 1H NMR (CDCl3), δ/ppm: 0.91 (d, 6H, J=6.6Hz), 1.27 (t, 2H, J=7.1Hz), 1.61-1.75 (m, 1H), 2.12-2.50 (m, 3H), 2.85 (dd , 2H, J1=17Hz, J2=4.1Hz); 13C NMR (CDCl3), δ/ppm: 21.86,24.23,25.89,35.43,43.08,166.48.

[References]

[1] Patent: WO2008/9897, 2008, A1. Location in patent: Page/Page column 8-9
[2] Patent: WO2012/93411, 2012, A2. Location in patent: Page/Page column 18
[3] Journal of the Chemical Society, 1954, p. 516,519
[4] Patent: WO2007/35789, 2007, A1. Location in patent: Page/Page column 30
[5] Patent: WO2009/4643, 2009, A2. Location in patent: Page/Page column 26
Spectrum DetailBack Directory
[Spectrum Detail]

3-isobutylglutaric anhydride(185815-59-2)1HNMR
185815-59-2 suppliers list
Company Name: Capot Chemical Co.,Ltd.
Tel: +86-(0)57185586718; +8613336195806 , +8613336195806
Website: http://www.capot.com
Company Name: Henan Tianfu Chemical Co.,Ltd.
Tel: +86-0371-55170693 +86-19937530512 , +86-19937530512
Website: https://www.tianfuchem.com/
Company Name: career henan chemical co
Tel: +86-0371-86658258 +8613203830695 , +8613203830695
Website: www.coreychem.com/
Company Name: CONIER CHEM AND PHARMA LIMITED
Tel: +8618523575427 , +8618523575427
Website: http://www.conier.com/
Company Name: Xi'an MC Biotech, Co., Ltd.
Tel: 029-89275612 +8618991951683 , +8618991951683
Website: www.chemicalbook.com/ShowSupplierProductsList1759320/0_EN.htm
Company Name: Dideu Industries Group Limited
Tel: +86-29-89586680 +86-15129568250 , +86-15129568250
Website: https://www.dideu.com
Company Name: AFINE CHEMICALS LIMITED
Tel: +86-0571-85134551
Website: www.afinechem.com/index.html
Company Name: Dayang Chem (Hangzhou) Co.,Ltd.
Tel: +86-0571-88938639 +8617705817739 , +8617705817739
Website: www.dycnchem.com/
Company Name: CD Chemical Group Limited
Tel: +8615986615575 , +8615986615575
Website: http://www.codchem.com/
Company Name: changzhou huayang technology co., ltd
Tel: +8615250961469 , +8615250961469
Website: http://www.huayangchem.com/template/eabout.html
Company Name: sgtlifesciences pvt ltd
Tel: +8617013299288 , +8617013299288
Website: https://www.chemicalbook.com/ShowSupplierProductsList1846349/0.htm
Company Name: Hefei TNJ Chemical Industry Co.,Ltd.
Tel: +86-0551-65418684 +8618949823763 , +8618949823763
Website: www.tnjchem.com
Company Name: HANGZHOU LEAP CHEM CO., LTD.
Tel: +86-571-87711850
Website: www.leapchem.com
Company Name: Henan Aochuang Chemical Co.,Ltd.
Tel: +86-0371-63689365 +8618638391208 , +8618638391208
Website: http://www.aochuangchem.com/
Company Name: Hebei Chuanghai Biotechnology Co., Ltd
Tel: +8615531151365 , +8615531151365
Website: www.chuanghaibio.com
Company Name: PT CHEM GROUP LIMITED
Tel: +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: SUZHOU SENFEIDA CHEMICAL CO.,LTD
Tel: +86-0512-83500002 +8618662433356 , +8618662433356
Website: www.sfdchem.com/
Tags:185815-59-2 Related Product Information
100-99-2 78-77-3