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163384

Sigma-Aldrich

4-(4-Methoxyphenyl)butyric acid

97%

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About This Item

Linear Formula:
CH3OC6H4(CH2)3CO2H
CAS Number:
4521-28-2
Molecular Weight:
194.23
Beilstein:
2416568
EC Number:
224-849-3
MDL number:
MFCD00004404
UNSPSC Code:
12352100
PubChem Substance ID:
24849745
NACRES:
NA.22

Assay

97%

form

powder

mp

56-59 °C (lit.)

SMILES string

COc1ccc(CCCC(O)=O)cc1

InChI

1S/C11H14O3/c1-14-10-7-5-9(6-8-10)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13)

InChI key

LZHMNCJMXQKSBY-UHFFFAOYSA-N

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General description

4-(4-Methoxyphenyl)butyric acid on demethylation with pyridinium hydrochloride affords 4-hydroxyphenylbutyric acid, a key starting material for the synthesis of preclinical candidate LY518674.

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBF2046V
S46164
01205MH
00105MH
08304MH

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Demethylation of 4-methoxyphenylbutyric acid using molten pyridinium hydrochloride on multikilogram scale.
Schmid CR, et al.
Organic Process Research & Development, 8(4), 670-673 (2004)

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