3-Carbamoymethyl-5-methylhexanoic acid
- CAS No.
- 181289-15-6
- Chemical Name:
- 3-Carbamoymethyl-5-methylhexanoic acid
- Synonyms
- 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid;Pregabalin intermediate;Isobutylglutarmonoamide;rac-Pregabalin Impurity III;Pregabalin 3-Carbamoylmethyl Racemate;3-(2-Amino-2-oxoethyl)-5-methylhexanoic;3-(Carbamoylmethyi-5-methyl hexanoic acid;3-Carbamoymethyl-5-methylhexanoic acid: 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid;3-Carbamoymethyl-5-m;（3-(2-Amino-2-oxoethyl)-5-
- CBNumber:
- CB3854798
- Molecular Formula:
- C9H17NO3
- Molecular Weight:
- 187.24
- MDL Number:
- MFCD08457698
- MOL File:
- 181289-15-6.mol
- MSDS File:
- SDS
| Melting point | 106-108°C |
|---|---|
| Boiling point | 401.9±28.0 °C(Predicted) |
| Density | 1.080±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly), Water (Slightly) |
| form | Solid |
| pka | 4.68±0.10(Predicted) |
| color | White to Off-White |
| Major Application | pharmaceutical small molecule |
| InChI | InChI=1S/C9H17NO3/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13) |
| InChIKey | NPDKTSLVWGFPQG-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CC(CC(N)=O)CC(C)C |
| CAS DataBase Reference | 181289-15-6(CAS DataBase Reference) |
| UNSPSC Code | 12352200 |
| NACRES | NA.24 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H317-H319 |
| Precautionary statements | P261-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
| WGK Germany | WGK 3 |
| HS Code | 2924.19.8000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Skin Irrit. 2 |
3-Carbamoymethyl-5-methylhexanoic acid price More Price(18)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemical | A3287 | 3-(2-Amino-2-oxoethyl)-5-methylhexanoic Acid | 181289-15-6 | 25G | $25 | 2026-04-30 | Buy |
| TCI Chemical | A3287 | 3-(2-Amino-2-oxoethyl)-5-methylhexanoic Acid | 181289-15-6 | 100G | $57 | 2026-04-30 | Buy |
| aablocks | AA0022PF | 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid ≥98% | 181289-15-6 | 25g | $10 | 2026-05-28 | Buy |
| aablocks | AA0022PF | 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid ≥98% | 181289-15-6 | 100g | $24 | 2026-05-28 | Buy |
| aablocks | AA0022PF | 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid ≥98% | 181289-15-6 | 500g | $114 | 2026-05-28 | Buy |
3-Carbamoymethyl-5-methylhexanoic acid Chemical Properties, Uses, Production
Physical Form
Powder
Uses
3-(2-Amino-2-oxoethyl)-5-methylhexanoic Acid is a Pregabalin, a GABA analogue used as an anticonvulsant, intermediate.
Uses
3-(2-Amino-2-oxoethyl)-5-methylhexanoic Acid is a Pregabalin (P704800), a GABA analogue used as an anticonvulsant, intermediate.
Synthesis
185815-59-2
181289-15-6
The general procedure for the synthesis of 3-(aminocarbonylmethyl)-5-methylhexanoic acid using 4-isobutyldihydro-2H-pyran-2,6(3H)-dione as a starting material was as follows: first, 70 g of the dried product of 3-isobutylglutaric acid was reacted with 70 g of acetic anhydride at 120 °C for 2 h to produce 3-isobutylglutaric anhydride. Subsequently, 75g of 3-isobutylglutaric anhydride solution was slowly added dropwise to 180g of ammonia, and the temperature was controlled at 10°C during the reaction. After the dropwise addition, the reaction was continued for 2 hours. After the completion of the reaction, the pH of the solution was adjusted to 2~3 with hydrochloric acid, and a white powdery solid was obtained by filtration, i.e., the target product 3-isobutylglutaric acid monoamide. Liquid phase detection of the product showed a purity of 99.8%, a yield of 95% and an overall yield of 77.5%. Figure 4 illustrates the liquid phase assay results of 3-isobutylglutaric acid monoamide.
References
[1] Patent: CN106278931, 2017, A. Location in patent: Paragraph 0038; 0039; 0040
[2] Patent: WO2012/93411, 2012, A2. Location in patent: Page/Page column 18-19
[3] Patent: WO2009/4643, 2009, A2. Location in patent: Page/Page column 26
[4] Organic Process Research and Development, 2009, vol. 13, # 4, p. 812 - 814
3-Carbamoymethyl-5-methylhexanoic acid Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Jiangxi Jinfeng Pharmaceutical Co., Ltd | 793-5181188 18170363299 | yangyuening@jxjfpharma.com | China | 62 | 58 |
| Jiangsu Greature Bio-Medicine Co., Ltd. | 0512-85557988 18662338937 | frank.wang@greature.com.cn | China | 145 | 58 |
| Jinan Wald Chemical Co., Ltd. | 0531-88773586 13210588999 | 304264064@qq.com | China | 192 | 58 |
| Shandong Kanghong New Material Technology Co., Ltd | 17686625089; 17686625089 | shandongkanghong@qq.com | China | 102 | 58 |
| Shanghai Boyle Chemical Co., Ltd. | sales@boylechem.com | China | 2915 | 55 | |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| JinYan Chemicals(ShangHai) Co.,Ltd. | 13817811078 | sales@jingyan-chemical.com | China | 9963 | 60 |
| Adamas Reagent, Ltd. | 400-6009262 15618770481 | yhx@titansci.com | China | 14098 | 59 |
| Yaqee Industrial Corporation Limited | +86-561-5269788, 5209788 | China | 40 | 66 |
View Latest Price from 3-Carbamoymethyl-5-methylhexanoic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-09-18 | 3-Carbamoymethyl-5-methylhexanoic acid
181289-15-6
|
$800.00-999.00 | 1kg | 99% | 5000 | HEBEI SHENGSUAN CHEMICAL INDUSTRY CO.,LTD | |
 |
2026-09-18 | 3-Carbamoymethyl-5-methylhexanoic acid
181289-15-6
|
0.99 | RongNa Biotechnology Co.,Ltd | ||||
 |
2026-09-02 | 3-Carbamoymethyl-5-methylhexanoic acid
181289-15-6
|
$1.20-35.00 | 1kg | 99% | Henan Fengda Chemical Co., Ltd |
-
- 3-Carbamoymethyl-5-methylhexanoic acid
181289-15-6
- $800.00-999.00
- 99%
- HEBEI SHENGSUAN CHEMICAL INDUSTRY CO.,LTD
-
- 3-Carbamoymethyl-5-methylhexanoic acid
181289-15-6
- 0.99
- RongNa Biotechnology Co.,Ltd
-
- 3-Carbamoymethyl-5-methylhexanoic acid
181289-15-6
- $1.20-35.00
- 99%
- Henan Fengda Chemical Co., Ltd
