N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-asparagine

Basic Information

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CAS Number

75647-01-7

Molecular Formula

C9H16N2O5

Molecular Weight

232.24 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 Amines

Basic Physical Properties

Melting Point

165-169 ºC

Boiling Point

481.7±40.0°C at 760 mmHg

Density

1.2896 (rough estimate)

Flash Point

245.1 °C

Refractive Index

7.7 ° (C=1, DMF)

Specific Rotation

9 º (c=1, DMF)

SMILES

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CC(C)(C)OC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)/t5-/m1/s1

InChIKey

FYYSQDHBALBGHX-RXMQYKEDSA-N

LogP

-0.16029999999999944

Topological Polar Surface Area

118.72000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

295

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

FD21162
M06170
(2R)-4-Amino-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid
J-300045
Boc-D-Asn-OH
D-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-
SCHEMBL1486143
AS-12727
n-alpha-boc-d-asparagine
Boc-D-asparagine
Boc-L-Asn-OH
(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanoic acid
(TERT-BUTOXYCARBONYL)-D-ASPARAGINE
Nalpha-(tert-Butoxycarbonyl)-D-asparagine
(R)-4-AMINO-2-(TERT-BUTOXYCARBONYLAMINO)-4-OXOBUTANOIC ACID
N-BOC-D-ASPARAGINE
HY-W012220
C9H16N2O5
75647-01-7
(2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Nalpha-Boc-D-asparagine
Boc-D-Asn-OH, >=98.0% (TLC)
(R)-4-AMINO-2-((TERT-BUTOXYCARBONYL)AMINO)-4-OXOBUTANOIC ACID
B2964
AC-24165
AM81558
FYYSQDHBALBGHX-RXMQYKEDSA-N
CHEBI:180549
A-Boc-D-asparagine
CS-W012936
N-ALPHA-T-BUTYLOXYCARBONYL-D-ASPARAGINE

MDL Number

MFCD00065558

Customs Code

2924199090

FAQ

What are the physical and chemical properties of N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-asparagine (CAS: 75647-01-7)?

N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-asparagine is a crystalline compound with a molecular weight of approximately 312.39 g/mol. It has a solubility of about 0.3 g/100 mL in water. This compound reacts with strong acids and bases. It is stable under normal conditions but should be stored away from strong oxidizers and reducing agents.

How is N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-asparagine (CAS: 75647-01-7) typically synthesized?

N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-asparagine can be synthesized using a multi-step process involving the protected asparagine and a 2-methyl-2-propanol derivative. The synthesis typically involves esterification and subsequent protection and deprotection steps, using reagents such as carbodiimides and acid scavengers to achieve high selectivity and yield.

What industries use N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-asparagine (CAS: 75647-01-7)?

N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-asparagine (CAS: 75647-01-7) is used in the pharmaceutical industry for the development of certain anti-inflammatory and analgesic compounds. It may also find applications in the polymer industry for the synthesis of special functional polymers and in the sensor industry for detection of specific chemicals.

What precautions should be taken when handling N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-asparagine (CAS: 75647-01-7)?

When handling N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-asparagine (CAS: 75647-01-7), it is important to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. Ensure the work is carried out in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate materials, and the area should be well-ventilated. Refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed instructions on safe handling and disposal.