ChemicalBook--->CAS DataBase List--->42106-48-9

42106-48-9

42106-48-9 Structure

42106-48-9 Structure
IdentificationBack Directory
[Name]

2-MORPHOLINOBENZOIC ACID
[CAS]

42106-48-9
[Synonyms]

AKOS BB-8942
BUTTPARK 98\12-69
CHEMBRDG-BB 4006143
RARECHEM AL BO 2105
2-MORPHOLINOBENZOIC ACID
2-(4-Morpholino)benzoic acid
2-(4-Morpholinyl)benzoic Acid
2-Morpholinobenzoic acid ,97%
2-(MORPHOLIN-4-YL)BENZOIC ACID
Benzoic acid, 2-(4-morpholinyl)-
2-morpholin-4-ylbenzoic acid(SALTDATA: FREE)
[Molecular Formula]

C11H13NO3
[MDL Number]

MFCD00527976
[MOL File]

42106-48-9.mol
[Molecular Weight]

207.23
Chemical PropertiesBack Directory
[Melting point ]

157 °C
[Boiling point ]

387.5±37.0 °C(Predicted)
[density ]

1.253±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

2.67±0.36(Predicted)
[Appearance]

Light yellow to light brown Solid
[CAS DataBase Reference]

42106-48-9
Hazard InformationBack Directory
[Chemical Properties]

White to off-white powder
[Uses]

2-Morpholinobenzoic Acid is used in the preparation of amino acids as inhibitors of αvβ integrin and for treating fibrosis.
[Synthesis]

2-MORPHOLIN-4-YL-BENZOIC ACID ETHYL ESTER

192817-79-1

2-MORPHOLINOBENZOIC ACID

42106-48-9

The general procedure for the synthesis of 2-(4-morpholinyl)benzoic acid from ethyl 2-morpholinobenzoate was as follows: referring to the method of Example 1e, ethyl 2-(morpholin-4-yl)-benzoate was reacted with 2 molar equivalents of sodium hydroxide in methanol solution. After completion of the reaction, the target product 2-(4-morpholinyl)benzoic acid was obtained after post-processing in 90% yield of the theoretical value. The Rf value of the product was 0.75 (silica gel plate; unfolding agent ratio dichloromethane/ethanol/ammonia = 8:4:0.2).

[References]

[1] Patent: US2003/162788, 2003, A1
[2] Patent: US2003/73836, 2003, A1
[3] Patent: EP1147095, 2004, B1. Location in patent: Page 68
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

22-36/37/38
[Safety Statements ]

26-37/39
[Hazard Note ]

Irritant
[HS Code ]

29349990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Methanol-->Potassium carbonate-->Dimethyl sulfoxide-->Morpholine-->2-Fluorobenzonitrile-->2-(2-Pyridyl)aniline-->2-Morpholin-4-yl-benzoic acid ethyl ester-->Ethyl 2-fluorobenzoate-->2-Fluorobenzoic acid-->2-Bromobenzoic acid-->Benzoyl chloride
Spectrum DetailBack Directory
[Spectrum Detail]

2-MORPHOLINOBENZOIC ACID(42106-48-9)1HNMR
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