ChemicalBook--->CAS DataBase List--->76497-39-7

76497-39-7

76497-39-7 Structure

76497-39-7 Structure
IdentificationMore
[Name]

D-(-)-3-Acetylthio-2-methylpropionic acid
[CAS]

76497-39-7
[Synonyms]

(-)-3-(ACETYLTHIO)-2-METHYLPROPANOIC ACID
D-(-)-3-ACETYLSULFANYL-2-METHYLPROPIONIC ACID
d-(-)-3-acetylthio-2-methylpropionic acid
D-(S)-3-ACETYL-3-MERCAPTO-2-METHYL PROPANOIC ACID
D(-)S-ACETYL-BETA-MERCAPTO ISOBUTYRIC ACID
(S)-(-)-3-(ACETYLMERCAPTO)ISOBUTYRIC ACID
(S)-(-)-3-ACETYLTHIO-2-METHYLPROPANOIC ACID
(S)-(-)-3-(ACETYLTHIO)-2-METHYLPROPIONIC ACID
(S)-(-)-3-(ACETYLTHIO)ISOBUTYRIC ACID
(S)-ACETYL-3-MERCAPTO-2-METHYLPROPANOIC ACID
(S)-(-)-ACETYLTHIO 2-METHYLPROPIONIC ACID
(S)-BETA-(ACETYLMERCAPTO)ISOBUTYRIC ACID
(S)-(-)-BETA-ACETYLTHIO-2-METHYLPROPIONIC ACID
(S)-β-(Acetylmercapto)isobutyric acid
D-3-(Acetylthio)-2-methylpropanoic acid
D-(S)-3-Acetylthio-2-methylpropionic acid
(S)-(-)-3-(ACETYLTHIO)-2-METHYLPROPIONI&
(-)-3-(Acetylthio)-2-methylpropanoic acid (Captopril Intermediate)
Propanoic acid, 3-(acetylthio)-2-methyl-, (2S)-
(S)-β-(Acetylmercapto)isobutyric acid, D-(-)-S-Acetyl-β-mercaptoisobutyric acid
[EINECS(EC#)]

278-480-8
[Molecular Formula]

C6H10O3S
[MDL Number]

MFCD00038563
[Molecular Weight]

162.21
[MOL File]

76497-39-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless to slightly yellow liquid
[Melting point ]

5 °C
[alpha ]

-46 º (c=1, 96% EtOH)
[Boiling point ]

120-132 °C (1 mmHg)
[density ]

1.178 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.490
[Fp ]

>230 °F
[storage temp. ]

Store at 0-5°C
[solubility ]

Chloroform (Slightly), Ethanol (Sparingly), Methanol (Slightly)
[form ]

liquid
[pka]

4.22±0.10(Predicted)
[Water Solubility ]

INSOLUBLE
[InChI]

InChI=1S/C6H10O3S/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
[InChIKey]

VFVHNRJEYQGRGE-SCSAIBSYSA-N
[SMILES]

C(O)(=O)[C@H](C)CSC(C)=O
[CAS DataBase Reference]

76497-39-7(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

C,T
[Risk Statements ]

R34:Causes burns.
R36:Irritating to the eyes.
R24/25:Toxic in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[REACH Registrations]

Active
[HS Code ]

29309070
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

D-(-)-3-Acetylthio-2-methylpropionic acid(76497-39-7).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colourless to slightly yellow liquid
[Uses]

ACE-inhibitors.
[Uses]

S-Acetylthio-2-methylpropionic acid (S-AMPA) is a key chiral intermediate for Captopril (C175750) and other hypertension drugs.
Spectrum DetailBack Directory
[Spectrum Detail]

D-(-)-3-Acetylthio-2-methylpropionic acid(76497-39-7)MS
D-(-)-3-Acetylthio-2-methylpropionic acid(76497-39-7)1HNMR
D-(-)-3-Acetylthio-2-methylpropionic acid(76497-39-7)13CNMR
D-(-)-3-Acetylthio-2-methylpropionic acid(76497-39-7)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

76497-39-7(sigmaaldrich)
[TCI AMERICA]

(S)-(-)-3-(Acetylthio)isobutyric Acid,>98.0%(T)(76497-39-7)
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