3-Carbamoymethyl-5-methylhexanoic acid
Physical Form Uses- Product Name
- 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;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;Isobutylglutarmonoamide;（3-(2-Amino-2-oxoethyl)-5-
- CBNumber
- CB3854798
- Molecular Formula
- C9H17NO3
- Formula Weight
- 187.24
- MOL File
- 181289-15-6.mol
3-Carbamoymethyl-5-methylhexanoic acid Property
- 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
- 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)
Safety
- HS Code
- 2924.19.8000
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H317May cause an allergic skin reaction
H319Causes serious eye irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- A3287
- Product name
- 3-(2-Amino-2-oxoethyl)-5-methylhexanoic Acid
- Packaging
- 25G
- Price
- $22
- Updated
- 2025/07/31
- Product number
- A3287
- Product name
- 3-(2-Amino-2-oxoethyl)-5-methylhexanoic Acid
- Packaging
- 100G
- Price
- $57
- Updated
- 2025/07/31
- Product number
- A619045
- Product name
- 3-(2-Amino-2-oxoethyl)-5-methylhexanoic Acid
- Packaging
- 100g
- Price
- $200
- Updated
- 2021/12/16
- Product number
- 121275
- Product name
- 3-(2-Amino-2-oxoethyl)-5-methylhexanoic Acid
- Purity
- 95%
- Packaging
- 250g
- Price
- $640
- Updated
- 2021/12/16
- Product number
- 121275
- Product name
- 3-(2-Amino-2-oxoethyl)-5-methylhexanoic Acid
- Purity
- 95%
- Packaging
- 1kg
- Price
- $1120
- Updated
- 2021/12/16
3-Carbamoymethyl-5-methylhexanoic acid Chemical Properties,Usage,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
Raw materials
Preparation Products
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View Lastest Price from 3-Carbamoymethyl-5-methylhexanoic acid manufacturers
- Product
- 3-Carbamoymethyl-5-methylhexanoic acid 181289-15-6
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99.0%
- Supply Ability
- 10000KGS
- Release date
- 2025-05-26
- Product
- 3-Carbamoymethyl-5-methylhexanoic acid 181289-15-6
- Price
- US $10.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10 mt
- Release date
- 2024-12-03
- Product
- 3-Carbamoymethyl-5-methylhexanoic acid 181289-15-6
- Price
- US $999.00-800.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 5000
- Release date
- 2024-08-21