(S)-3-METHYLHEPTANOIC ACID
- Product Name
- (S)-3-METHYLHEPTANOIC ACID
- CAS No.
- 59614-85-6
- Chemical Name
- (S)-3-METHYLHEPTANOIC ACID
- Synonyms
- (S)-3-METHYLHEPTANOIC ACID;(3S)-3-Methyl-heptanoic acid;Heptanoic acid,3-methyl-, (3S)-
- CBNumber
- CB3738337
- Molecular Formula
- C8H16O2
- Formula Weight
- 144.21
- MOL File
- 59614-85-6.mol
(S)-3-METHYLHEPTANOIC ACID Property
- Boiling point:
- 234.6℃
- Density
- 0.926
- Flash point:
- 116.6℃
- pka
- 4.80±0.10(Predicted)
- InChI
- InChI=1S/C8H16O2/c1-3-4-5-7(2)6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s1
- InChIKey
- DVESMWJFKVAFSP-ZETCQYMHSA-N
- SMILES
- C(O)(=O)C[C@@H](C)CCCC
N-Bromosuccinimide Price
- Product number
- AA00E8WP
- Product name
- (S)-3-methylheptanoic acid
- Purity
- 95%
- Packaging
- 100mg
- Price
- $358
- Updated
- 2026/05/28
- Product number
- AA00E8WP
- Product name
- (S)-3-methylheptanoic acid
- Purity
- 95%
- Packaging
- 250mg
- Price
- $653
- Updated
- 2026/05/28
- Product number
- U109669
- Product name
- (S)-3-methylheptanoic acid
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $1030
- Updated
- 2026/05/27
- Product number
- U109669
- Product name
- (S)-3-methylheptanoic acid
- Purity
- 95.00%
- Packaging
- 5G
- Price
- $4120
- Updated
- 2026/05/27
- Product number
- 6577CR
- Product name
- (S)-3-Methylheptanoicacid
- Packaging
- 1g
- Price
- $1680
- Updated
- 2021/12/16
(S)-3-METHYLHEPTANOIC ACID Chemical Properties,Usage,Production
Uses
(S)-3-Methylheptanoic acid is a chiral organic acid compound that can be used as a synthetic unit in the synthesis of PGI2 (prostacyclin I2) analogues, such as pimiprost and ronoprost[1].
Synthesis
The synthesis of (S)-3-methylheptanoic acid begins with a chemically selective alkylation reaction between bromo-propylmagnesium and bromoester 3 under Cu(I) catalysis, yielding ester 6 in very high yield. Subsequently, a Barbier–Villain dealkylation reaction was employed to remove an excess carbon atom from 6. Ester 6 reacts with phenylmagnesium bromide to form alcohol 7, which undergoes efficient dehydration in DCM in the presence of a catalytic amount of TMSCl to yield the diphenyl alkene 8. Oxidation of 8 with KMnO₄/NaIO₄ in a t-butanol–water system cleaves the double bond, yielding the target product 1 in 84% yield. Oxidation of 8 with ozone in ethyl acetate, followed by treatment of the resulting mixture with 30% hydrogen peroxide/1.2 mol·L⁻¹ hydrochloric acid, similarly yielded 1 in higher yield. Optically pure compound 1 (91.0% ee) was obtained via its derivative 9.[1]
References
[1] Shunji Zhang, Weisheng T., Yong Shi. (2015). Syntheses of (R)- and (S)-3-Methylheptanoic Acids. Chinese Journal of Chemistry, 33 6, 674–678. https://doi.org/10.1002/cjoc.201400861
(S)-3-METHYLHEPTANOIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
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