Methyl 3-(4-morpholinylmethyl)benzoate

Basic Information

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CAS Number

190660-95-8

Molecular Formula

C13H17NO3

Molecular Weight

235.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

46 °C

Boiling Point

341.2℃at760mmHg

Flash Point

160.1℃

SMILES

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COC(=O)C1=CC=CC(=C1)CN2CCOCC2

InChI

InChI=1S/C13H17NO3/c1-16-13(15)12-4-2-3-11(9-12)10-14-5-7-17-8-6-14/h2-4,9H,5-8,10H2,1H3

InChIKey

YLFWRCNFZKUNOE-UHFFFAOYSA-N

LogP

1.3054000000000001

Topological Polar Surface Area

38.769999999999996 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

251

Synonyms & References

English

SCHEMBL1013481
Methyl 3-(morpholinomethyl)benzoate
DTXSID90331370
SY005959
Benzoic acid, 3-(4-morpholinylmethyl)-, methyl ester
A880402
W-206407
AKOS015950569
TS-00659
YLFWRCNFZKUNOE-UHFFFAOYSA-N
methyl 3-(morpholin-4-ylmethyl)benzoate
methyl 3-[(morpholin-4-yl)methyl]benzoate
FT-0734420
CS-0449407
190660-95-8
MFCD07772832
Z54750022
Benzoic acid,3-(4-morpholinylmethyl)-, methyl ester
Methyl 3-(Morpholin-4-Ylmethyl)Benzoate
3-morpholin-4-ylmethyl-benzoic acid methyl ester
Methyl3-(Morpholinomethyl)benzoate
SBB098431
RP05685
TRA0058225
AB1000637
Y8106

MDL Number

MFCD07772832

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Methyl 3-(4-morpholinylmethyl)benzoate (CAS: 190660-95-8)?

Methyl 3-(4-morpholinylmethyl)benzoate is a white to off-white crystalline solid with a molecular weight of approximately 268.39 g/mol. It is soluble in organic solvents like ethanol and methanol but less so in water. Chemically, it is relatively stable but can undergo hydrolysis under basic conditions. It has a pKa of about 7.5 and can form hydrogen bonds, which contribute to its crystalline structure and solubility properties.

How is Methyl 3-(4-morpholinylmethyl)benzoate (CAS: 190660-95-8) typically synthesized?

Methyl 3-(4-morpholinylmethyl)benzoate is synthesized via the reaction of 4-morpholinylmethylbenzyl chloride with methyl alcohol. This reaction is typically conducted in the presence of a strong base like sodium hydroxide to facilitate the nucleophilic substitution. The product is isolated by extraction and purification using column chromatography. The yield is moderate, around 70-80%, and the method is known for its high selectivity.

What industries use Methyl 3-(4-morpholinylmethyl)benzoate (CAS: 190660-95-8)?

Methyl 3-(4-morpholinylmethyl)benzoate is primarily used in the pharmaceutical industry as a precursor in the synthesis of various drugs. It is also utilized in the polymer industry for improving the thermal stability and solubility of polymers. Additionally, it has applications in sensors and semiconductors due to its optical and electronic properties.

What precautions should be taken when handling Methyl 3-(4-morpholinylmethyl)benzoate (CAS: 190660-95-8)?

When handling Methyl 3-(4-morpholinylmethyl)benzoate, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a cool, dry place away from direct sunlight and heat sources. Use a fume hood during handling to minimize inhalation risks. In case of a spill, sweep up the spill carefully and dispose of it according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.