Butanoic acid, 4-hydroxy-, methyl ester

HCID 70217
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Basic information

CAS
925-57-5
Standard SMILES
COC(=O)CCCO
InChIKey
JUYVXCGKMCYNBN-UHFFFAOYSA-N
Molecular formula
C5H10O3
Average molar mass
118.13 g/mol
Monoisotopic mass
118.06299418

Names & identifiers

Preferred name
Butanoic acid, 4-hydroxy-, methyl ester
IUPAC
methyl 4-hydroxybutanoate
English name
4-Hydroxybutanoic acid methyl ester
Molecular formula
C5H10O3
Molecular weight
118.13

Names & synonyms

925-57-5Butanoic acid, 4-hydroxy-, methyl esterDTXSID10239021RefChem:1080345DTXCID30161512Methyl 4-hydroxybutanoate4-HYDROXYBUTYRIC ACID METHYL ESTER4-hydroxy-butyric acid methyl ester4-HYDROXYBUTANOIC ACID METHYL ESTERPiracetam Impurity 10MFCD120251444-Hydroxybutyric Acid Methyl Ester (>80%)
Show more names
Piracetam Impurity N2methyl 4-hydroxybutyratemethyl-4-hydroxybutyrateMethyl ?-hydroxybutyrateSCHEMBL93694SCHEMBL93695SCHEMBL3633937SCHEMBL4286841

Database identifiers

CAS
925-57-5
PubChem CID
70217
DTXSID
DTXSID10239021
Nikkaji
J140.265J

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
8

Physicochemical properties

Boiling point
33 °C · 33 °C(Press: 0.2 Torr)
Density
1.054 · 1.054±0.06 g/cm3(Predicted)
storage temp.
Hygroscopic, Refrigerator, Under inert atmosphere
solubility
Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka
14.68 · 14.68±0.10(Predicted)
form
Oil

Chemistry & industry

Applications

Uses4-Hydroxybutyric Acid Methyl Ester is a derivative of 4-Hydroxybutyric Acid (H833015). A reactant used in the preparation of 4-aminothiazolyl analogs of natural product GE2270 A, useful against Clostridium difficile infection.

Uses4-Hydroxybutyric Acid Methyl Ester is a derivative of 4-Hydroxybutyric Acid (H833015 )and it is a reactant used in the preparation of 4-aminothiazolyl analogs of natural product GE2270 A, useful against Clostr idium difficile infection.

Upstream & downstream products

Suppliers49 total

上海鹏鹊化学科技有限公司15317013857 15901926503 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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