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(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
Molecular Weight:
144.21
MDL Number:
MFCD04112705
MOL File:
59614-85-6.mol
Last updated:2026-05-14 11:14:47
Product description Number Pack Size Price
(S)-3-methylheptanoic acid 95% AA00E8WP 100mg $358
(S)-3-methylheptanoic acid 95% AA00E8WP 250mg $653
(S)-3-methylheptanoic acid 95.00% U109669 1G $1030
(S)-3-methylheptanoic acid 95.00% U109669 5G $4120
(S)-3-METHYLHEPTANOIC ACID 98.00% CCH0006149 5MG $503.89
More product size

(S)-3-METHYLHEPTANOIC ACID Properties

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

(S)-3-METHYLHEPTANOIC ACID price

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
aablocks AA00E8WP (S)-3-methylheptanoic acid 95% 59614-85-6 100mg $358 2026-05-28 Buy
aablocks AA00E8WP (S)-3-methylheptanoic acid 95% 59614-85-6 250mg $653 2026-05-28 Buy
ACHEMBLOCK U109669 (S)-3-methylheptanoic acid 95.00% 59614-85-6 1G $1030 2026-05-27 Buy
ACHEMBLOCK U109669 (S)-3-methylheptanoic acid 95.00% 59614-85-6 5G $4120 2026-05-27 Buy
American Custom Chemicals Corporation CCH0006149 (S)-3-METHYLHEPTANOIC ACID 98.00% 59614-85-6 5MG $503.89 2021-12-16 Buy
Product number Packaging Price Buy
AA00E8WP 100mg $358 Buy
AA00E8WP 250mg $653 Buy
U109669 1G $1030 Buy
U109669 5G $4120 Buy
CCH0006149 5MG $503.89 Buy

(S)-3-METHYLHEPTANOIC ACID Chemical Properties,Uses,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]
synthesis of (S)-3-METHYLHEPTANOIC ACID

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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(S)-3-METHYLHEPTANOIC ACID Heptanoic acid,3-methyl-, (3S)- (3S)-3-Methyl-heptanoic acid 59614-85-6