(3R)-4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-morpholinecarboxylic acid

Basic Information

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CAS Number

869681-70-9

Molecular Formula

C10H17NO5

Molecular Weight

231.25 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

Physical State

White to Yellow Solid

Melting Point

181 °C

Boiling Point

369.5°C at 760 mmHg

Density

1.23

Flash Point

177.3℃

Refractive Index

1.492

SMILES

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CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)O

InChI

InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1

InChIKey

KVXXEKIGMOEPSA-SSDOTTSWSA-N

LogP

0.7069000000000001

Topological Polar Surface Area

76.07 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

283

Safety Information

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Hazard Statement

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

(R)-4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid
(R)-Morpholine-3,4-dicarboxylic acid 4-tert-butyl ester
(3r)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic Acid
(R)-N-Boc-morpholine-3-carboxylic acid
4-Boc-3(R)-morpholinecarboxylic acid
(r)-4-boc-morpholine-3-carboxylic acid
(R)-4-Boc-morpholine-3-carboxylicacid
(r)-4-n-boc-3-morpholinecarboxylic acid
(R)-4-Boc-morpholine-3-carboxylic acid, AldrichCPR
(R)-Morpholine-3,4-dicarboxylic acid 4-tert-butylester
KVXXEKIGMOEPSA-SSDOTTSWSA-N
BH059
(3R)-4-[(tert-butoxy)carbonyl]morpholine-3-carboxylic acid

MDL Number

MFCD04114909

Customs Code

2934999090

FAQ

What are the physical and chemical properties of (3R)-4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-morpholinecarboxylic acid (CAS: 869681-70-9)?

This compound is a white crystalline solid with a molecular weight of approximately 264.36 g/mol. It has a pKa of around 11.3, indicating basic properties. The compound is poorly soluble in water but soluble in organic solvents such as methanol and dimethylformamide. It is reactive towards nucleophiles and can undergo esterification and amide formation reactions.

How is (3R)-4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-morpholinecarboxylic acid (CAS: 869681-70-9) typically synthesized?

This compound can be synthesized via a multi-step process starting with morpholine and 2-methyl-2-propanol. The key steps involve esterification followed by protection and deprotection of functional groups. Commonly used reagents include acyl chlorides or mixed anhydrides, with HBTU or EDC as coupling agents. The overall yield is moderate to good, depending on the purity of the intermediates.

What industries use (3R)-4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-morpholinecarboxylic acid (CAS: 869681-70-9)?

This compound is primarily used in the pharmaceutical industry for the synthesis of bioactive molecules. It also finds applications in polymer chemistry, where it can be used as a monomer or additive. Additionally, it is utilized in the formulation of certain sensors and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling (3R)-4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-morpholinecarboxylic acid (CAS: 869681-70-9)?

Proper handling procedures include the use of gloves, safety goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight and heat sources. Work should be conducted in a fume hood to minimize exposure to volatile components. In case of spill, neutralize with an appropriate acid-base buffer and dispose of according to local waste regulations. Refer to the Material Safety Data Sheet (MSDS) for detailed safety information.