N-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine

Basic Information

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CAS Number

19914-38-6

Molecular Formula

C9H17NO4

Molecular Weight

203.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

90.0 to 94.0 deg-C

Boiling Point

296.3°C at 760 mmHg

Density

1.1110

Flash Point

133.0±21.5 °C

Specific Rotation

30 º (c=1,EtOH)

SMILES

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

InChI

InChI=1S/C9H17NO4/c1-6(7(11)12)10(5)8(13)14-9(2,3)4/h6H,1-5H3,(H,11,12)/t6-/m1/s1

InChIKey

VLHQXRIIQSTJCQ-ZCFIWIBFSA-N

LogP

1.3264

Topological Polar Surface Area

66.84 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

232

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Boc-N-Me-D-Ala-OH, >=98.0% (TLC)
AMY22628
AKOS015892692
boc-d-n-me-ala-oh
SCHEMBL357909
Boc-D -MeAla-OH
Boc-N-methyl-D-alanine
PD197338
N-(tert-butyloxycarbonyl)-N-methyl-D-alanine
N-{[(1,1-dimethylethyl)oxy]carbonyl}-N-methyl-D-alanine
J-300017
VLHQXRIIQSTJCQ-ZCFIWIBFSA-N
Boc-Nalpha-methyl-D-alanine
DTXSID60583400
19914-38-6
HY-Y1856
N-Boc-N-methyl-D-alanine
(2R)-2-[tert-butoxycarbonyl(methyl)amino]propanoic acid;N-BOC-N-METHYL-D-ALANINE
(2R)-2-{[(tert-butoxy)carbonyl](methyl)amino}propanoic acid
D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
B3650
AC-6702
EN300-1275467
AKOS015836738
(R)-2-((tert-Butoxycarbonyl)(methyl)amino)propanoic acid
(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
Boc-N-Me-D-Ala-OH
CS-0019440
A814064
(R)-2-(tert-butoxycarbonyl-methyl-amino)-propionic acid
AS-15601

MDL Number

MFCD00063137

Customs Code

2922509090

FAQ

What are the physical and chemical properties of N-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine (CAS: 19914-38-6)?

N-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine is a white or off-white crystalline powder with a molecular weight of approximately 219.29 g/mol. It is slightly soluble in water and miscible in common organic solvents. The compound is stable under normal conditions but can react with strong bases to form carboxylate salts. It has a melting point of 162-165°C.

How is N-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine (CAS: 19914-38-6) typically synthesized?

N-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine can be synthesized through a multi-step process involving the protection of the carboxylic acid functionality, followed by esterification and subsequent deprotection. Commonly, a protecting group such as tert-butyldimethylsilyl (TBDMS) is used, and the reaction typically proceeds with good selectivity and yield under mild conditions.

What industries use N-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine (CAS: 19914-38-6)?

N-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine is used in pharmaceuticals for the synthesis of various peptides and proteins. It is also applied in the production of polymers, where it can serve as a monomer or precursor for specific polymer modifications. Additionally, it has applications in the development of sensors and in semiconductor technology due to its chemical properties.

What precautions should be taken when handling N-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine (CAS: 19914-38-6)?

When handling N-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine, it is essential to wear appropriate personal protective equipment (PPE), such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. If a spill occurs, it should be immediately cleaned up using absorbent materials. Always consult the safety data sheet (SDS) for detailed information on handling and disposal.