ChemicalBook--->CAS DataBase List--->178306-52-0

178306-52-0

178306-52-0 Structure

178306-52-0 Structure
IdentificationBack Directory
[Name]

Benzenepropanoic acid,a-hydroxy-b-methoxy-b-phenyl-,(aS)-
[CAS]

178306-52-0
[Synonyms]

ALST-3
S-2-Hydroxy-3-methoxy-3
3-diphenylpropanoic acid
AMbrisentan InterMediate
Ambrisentan Hydroxy Impurity
Ambrisentan Related compound A
Ambrisentan Hydroxy Acid Impurity
Ambrisentan Hydroxy Acid Impurity (S-Isomer)
(S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
(S)-2-Hydroxy-3-methoxy-3,3-diphenylpropionic acid
(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
(S)-2-Hydroxyl -3-Methoxy-3,3-diphenylpropanoic acid
(S)-2-Hydroxy-3-methoxy-3,3-diphenylpropionic Acid
Benzenepropanoic acid,a-hydroxy-b-methoxy-b-phenyl-,(aS)-
Benzenepropanoic acid, α-hydroxy-β-methoxy-β-phenyl-, (αS)-
Benzenepropanoic acid, α-hydroxy-β-methoxy-β-phenyl-, (αS)-
"(S)-2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid"Q: What is "(S)-2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid" Q: What is the CAS Number of "(S)-2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid" Q: What is the storage condition of "(S)-2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid" Q: What are the applications of "(S)-2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid"
[EINECS(EC#)]

1806241-263-5
[Molecular Formula]

C16H16O4
[MDL Number]

MFCD11113284
[MOL File]

178306-52-0.mol
[Molecular Weight]

272.298
Chemical PropertiesBack Directory
[Melting point ]

121 °C
[Boiling point ]

430.3±45.0 °C(Predicted)
[density ]

1.248
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Ethanol (Sparingly, Sonicated), Methanol (Slightly)
[form ]

Solid
[pka]

3.24±0.28(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1/C16H16O4/c1-20-16(14(17)15(18)19,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,17H,1H3,(H,18,19)/t14-/s3
[InChIKey]

RQJWOLFMWKZKCJ-WDHUHKLTNA-N
[SMILES]

C(OC)(C1=CC=CC=C1)(C1C=CC=CC=1)[C@H](O)C(=O)O |&1:15,r|
Questions And AnswerBack Directory
[Uses]

(S)-2-Hydroxy-3-methoxy-3,3-diphenylpropionic Acid is used in analytical studies for chiral discrimination of α-functionalized acids. Ambrisentan Hydroxy Acid Impurity.
Safety DataBack Directory
[HS Code ]

2918.99.4700
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Synthesis]

2-HYDROXY-3-METHOXY-3,3-DIPHENYLPROPANOIC ACID

178306-51-9

Benzenepropanoic  acid,a-hydroxy-b-methoxy-b-phenyl-,(aS)-

178306-52-0

The general procedure for the synthesis of (S)-2-hydroxy-3-methoxy-3,3-diphenylpropionic acid from 2-hydroxy-3-methoxy-3,3-diphenylpropionic acid was as follows: 500 mg (1.84 mmol) of (RS)-2-hydroxy-3-methoxy-3,3-diphenylpropionic acid was dissolved in 8 mL of 2-propanol, followed by addition of 135 mg (0.92 mmol) of (S)-(+)-1,2,3,4-tetrahydro-1-naphthylamine. The reaction mixture was stirred under heated reflux conditions for 1 hour, then cooled to room temperature and continued stirring for 2 hours. The precipitated crystals were collected by filtration, washed with 2-propanol and finally dried under reduced pressure. The same operations as in Example 1 were performed according to the solvents listed in Table 1.

[References]

[1] Patent: JP2017/128528, 2017, A. Location in patent: Paragraph 0005; 0041; 0042; 0045; 0046
[2] Patent: WO2012/17441, 2012, A1. Location in patent: Page/Page column 11-12
[3] Patent: CN104098462, 2017, B. Location in patent: Paragraph 0009; 0028; 0029; 0031
[4] Patent: JP5700378, 2015, B2. Location in patent: Paragraph 0071; 0072
[5] Patent: WO2013/57468, 2013, A1. Location in patent: Page/Page column 23-24
Spectrum DetailBack Directory
[Spectrum Detail]

Benzenepropanoic acid,a-hydroxy-b-methoxy-b-phenyl-,(aS)-(178306-52-0)1HNMR
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