ChemicalBook--->CAS DataBase List--->67451-81-4

67451-81-4

67451-81-4 Structure

67451-81-4 Structure
IdentificationBack Directory
[Name]

3-MORPHOLIN-4-YLMETHYLBENZOIC ACID
[CAS]

67451-81-4
[Synonyms]

AKOS BB-9413
3-(Morpholinomethyl)
3-(Morpholinomethyl)benzoic Acid
3-MORPHOLIN-4-YLMETHYLBENZOIC ACID
3-(4-Morpholinylmethyl)Benzoic acid
3-Morpholin-4-ylmethylbenzoicacid95%
3-MORPHOLIN-4-YLMETHYLBENZOIC ACID 95%
Benzoic acid, 3-(4-morpholinylmethyl)-
[Molecular Formula]

C12H15NO3
[MDL Number]

MFCD05841588
[MOL File]

67451-81-4.mol
[Molecular Weight]

221.25
Chemical PropertiesBack Directory
[Boiling point ]

376.9±32.0 °C(Predicted)
[density ]

1.233±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

3.98±0.10(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P280-P305+P351+P338-P310
[Hazard Codes ]

Xn
[Risk Statements ]

22
Spectrum DetailBack Directory
[Spectrum Detail]

3-MORPHOLIN-4-YLMETHYLBENZOIC ACID(67451-81-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

METHYL 3-(MORPHOLIN-4-YLMETHYL)BENZOATE

190660-95-8

3-MORPHOLIN-4-YLMETHYLBENZOIC ACID

67451-81-4

General procedure for the synthesis of 3-morpholin-4-ylmethylbenzoic acid from methyl 3-(4-morpholinylmethyl)benzoate: to a solution of methyl 3-(4-morpholinylmethyl)benzoate (5.02 g, 21.0 mmol) in methanol (100 mL) was added a sodium hydroxide solution (21.0 mL, 42.0 mmol, 2M). The reaction mixture was heated at 50 °C with stirring for 16 hours. After completion of the reaction, the solvent was removed by distillation under reduced pressure. The residue was adjusted to pH=3 with 1M hydrochloric acid and the resulting suspension was subsequently filtered. The collected solid was dissolved in acetonitrile (15 mL) and concentrated to afford 3-(morpholin-4-ylmethyl)benzoic acid (4.6 g, 100% yield) as a white solid, which was used directly in the subsequent reaction without further purification.

[References]

[1] Patent: WO2018/169777, 2018, A1. Location in patent: Paragraph 0229
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