2-Methyl-2-propanyl (3S)-3-(hydroxymethyl)-4-morpholinecarboxylate

Basic Information

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CAS Number

714971-28-5

Molecular Formula

C10H19NO4

Molecular Weight

217.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

80ºC

Boiling Point

320.7°C at 760 mmHg

Density

1.118

Water Solubility

Slightly soluble in water.

SMILES

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CC(C)(C)OC(=O)N1CCOCC1CO

InChI

InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1

InChIKey

AIQSXVGBMCJQAG-QMMMGPOBSA-N

LogP

0.6145999999999998

Topological Polar Surface Area

59.0 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

224

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

DTXSID80363822
3(S)-Hydroxymethyl-4-Boc-morpholine
AKOS015916386
714971-28-5
MFCD06799478
EN300-154379
CS-W019073
tert-butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate
(s)-4-boc-3-hydroxymethyl morpholine
A9362
AKOS015841581
AM20100679
(S)-4-Boc-(3-hydroxymethyl)morpholine
(S)-3-Hydroxymethyl-4-boc-morpholine
SCHEMBL307099
(S)-3-hydroxymethyl-morpholine-4-carboxylic acid tert-butyl ester
(S)-N-BOC-3-hydroxymethylmorpholine
(S)-4-Boc-3-hydroxymethyl-morpholine
AIQSXVGBMCJQAG-QMMMGPOBSA-N
(S)-tert-butyl 3-(hydroxymethyl)morpholine-4-carboxylate
(S)-3-HYDROXYMETHYLMORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-Butyl(3S)-3-(hydroxymethyl)morpholine-4-carboxylate
(S)-N-BOC-3-(hydroxymethyl)morpholine
GS-4502
tert-Butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate
(S)-3-Hydroxymethylmorpholine-4-carboxylic acid tert-butyl ester
(S)-N-BOC-3-(HYDROXYMETHYL)MORPHOLINE
3(S)-HYDROXYMETHYL-4-BOCMORPHOLINE
(S)-3-Hydroxymethyl-morpholine-4-carboxylic acid tert-butyl ester
(S)-4-BOC-3-hydroxymethylmorpholine
1,1-dimethylethyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate

MDL Number

MFCD06799478

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (3S)-3-(hydroxymethyl)-4-morpholinecarboxylate (CAS: 714971-28-5)?

2-Methyl-2-propanyl (3S)-3-(hydroxymethyl)-4-morpholinecarboxylate is a solid with a crystalline form. It has a molecular weight of approximately 264.41 g/mol and is slightly soluble in water. It is reactive towards nucleophiles and can undergo esterification and alcoholysis reactions. The compound has a pKa of around 8.6 in aqueous solutions.

How is 2-Methyl-2-propanyl (3S)-3-(hydroxymethyl)-4-morpholinecarboxylate (CAS: 714971-28-5) typically synthesized?

2-Methyl-2-propanyl (3S)-3-(hydroxymethyl)-4-morpholinecarboxylate is typically synthesized through a two-step process. First, 4-morpholinecarboxylic acid and 2-methyl-2-propanol are reacted under basic conditions to form the corresponding ester. This ester is then reduced using a hydrogenation catalyst to introduce the hydroxymethyl group.

What industries use 2-Methyl-2-propanyl (3S)-3-(hydroxymethyl)-4-morpholinecarboxylate (CAS: 714971-28-5)?

2-Methyl-2-propanyl (3S)-3-(hydroxymethyl)-4-morpholinecarboxylate is used in the pharmaceutical industry as a precursor for drug synthesis. It also finds applications in sensor technology, particularly in the development of chemical sensors due to its reactivity and functional groups.

What precautions should be taken when handling 2-Methyl-2-propanyl (3S)-3-(hydroxymethyl)-4-morpholinecarboxylate (CAS: 714971-28-5)?

When handling 2-Methyl-2-propanyl (3S)-3-(hydroxymethyl)-4-morpholinecarboxylate, it is important to wear appropriate personal protective equipment (PPE) including gloves and safety goggles. The compound should be handled in a fume hood to minimize exposure. In case of spill, it should be immediately contained and cleaned up with appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information.