(2R)-4-Ammonio-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoate

Basic Information

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CAS Number

80445-78-9

Molecular Formula

C9H18N2O4

Molecular Weight

218.25 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 Amines

Basic Physical Properties

Melting Point

207-211°C

Boiling Point

385.5℃ at 760 mmHg

Density

1.16

Flash Point

188.6℃

Specific Rotation

-9° ~ -13° (c=1, Methanol)

SMILES

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

InChI

InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-6(4-5-10)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)/t6-/m1/s1

InChIKey

MDCPCLPRWLKUIQ-ZCFIWIBFSA-N

LogP

0.31310000000000004

Topological Polar Surface Area

101.64999999999999 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

235

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

Synonyms & References

English

N-alpha-t-Butyloxycarbonyl-D-2,4-diaminobutyric acid (Boc-D-Dab-OH)
(2R)-4-AMINO-2-[(TERT-BUTOXYCARBONYL)AMINO]BUTANOIC ACID
AKOS005146317
80445-78-9
Boc-D-2,4-diaminobutyric acid
CS-W014793
(2R)-4-azaniumyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
(R)-4-amino-2-((tert-butoxycarbonyl)amino)butanoic acid
MFCD00798622
AS-18900
(R)-4-AMINO-2-(TERT-BUTOXYCARBONYLAMINO)BUTANOIC ACID
BOC-D-DAB-OH
AC-23759
DTXSID00427334
FD1082
SCHEMBL2612149
(2R)-4-Amino-2-(Boc-amino)butanoic acid
MDCPCLPRWLKUIQ-ZCFIWIBFSA-N
Na-Boc-D-2,4-diaminobutyric acid
A847257
(2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid
AKOS015841362
(2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;
(2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Boc-D-Dab-OH(Na-Boc-D-2,4-Diaminobutyric acid)
Butanoic acid, 4-amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)-
N-α-Boc-D-2,4-Diaminobutyric acid
N-
A-Boc-D-2,4-Diaminobutyric acid
FCH3530103
AB07215

MDL Number

MFCD00798622

Customs Code

2922499990

FAQ

What are the physical and chemical properties of (2R)-4-Ammonio-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoate (CAS: 80445-78-9)?

The compound (2R)-4-Ammonio-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoate (CAS: 80445-78-9) has a crystalline form. Its molecular weight is approximately 284.43 g/mol. The compound is moderately soluble in water and ethanol. It is reactive towards nucleophiles and can undergo hydrolysis under basic conditions. It is stable under acidic and neutral conditions.

How is (2R)-4-Ammonio-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoate (CAS: 80445-78-9) typically synthesized?

This compound is typically synthesized through a multi-step process involving the reaction of a primary amine with a carboxylic acid chloride. The synthesis involves the use of a mild carbodiimide as a coupling agent and a catalytic amount of a base. The process yields a high purity product with good selectivity and a yield of about 75-85%.

What industries use (2R)-4-Ammonio-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoate (CAS: 80445-78-9)?

This compound is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also utilized in the polymer industry for the modification of polymer properties. Additionally, it has applications in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling (2R)-4-Ammonio-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoate (CAS: 80445-78-9)?

When handling (2R)-4-Ammonio-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoate (CAS: 80445-78-9), it is important to wear proper personal protective equipment (PPE), including gloves and goggles. The compound should be stored in a cool, dry place away from sources of heat and moisture. In case of a spill, it should be handled carefully and disposed of according to the safety data sheet (SDS). Always refer to the latest SDS for detailed safety information.