N-[(Benzyloxy)carbonyl]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-alanine

Basic Information

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CAS Number

16947-84-5

Molecular Formula

C16H22N2O6

Molecular Weight

338.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

140-144°C

Boiling Point

548.7℃ at 760 mmHg

Density

1.2350

Flash Point

285.6℃

Specific Rotation

-12° (c=1% in Methanol)

SMILES

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CC(C)(C)OC(=O)NCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O6/c1-16(2,3)24-14(21)17-9-12(13(19)20)18-15(22)23-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t12-/m0/s1

InChIKey

WJKGPJRAGHSOLM-LBPRGKRZSA-N

LogP

1.8906999999999994

Topological Polar Surface Area

113.96 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

440

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

(S)-2-(((Benzyloxy)carbonyl)amino)-3-((tert-butoxycarbonyl)amino)propanoic acid
C16H22N2O6
L-Alanine,3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(phenylmethoxy)carbonyl]-
SCHEMBL615358
(S)-2-Benzyloxycarbonylamino-3-tert-butoxycarbonylamino-propionic acid
16947-84-5
A3744
AC-5658
A-Z-N-
Nalpha-Z-Nbeta-Boc-L-2,3-diaminopropionic acid
(S)-2-(benzyloxycarbonylamino)-3-(tert-butoxycarbonylamino)propionoic acid
(S)-2-(benzyloxycarbonylamino)-3-(tert-butoxycarbonylamino)propanoic acid
CS-W002577
N-[(Benzyloxy)carbonyl]-3-[(tert-butoxycarbonyl)amino]-L-alanine
MFCD00237342
N-tert-butoxycarbonyl-2(S)-benzyloxycarbonylamino-beta-alanine
N-(t-butoxycarbonyl)-2(S)-benzyloxycarbonylamino-beta-alanine
(s)-2-[(benzyloxycarbonyl)amino]-3-[(t-butyloxycarbonyl) amino]propanoic acid
J-010545
(2S)-2-{[(benzyloxy)carbonyl]amino}-3-{[(tert-butoxy)carbonyl]amino}propanoic acid
(2S)-2-{[(benzyloxy)carbonyl]amino}-3-[(tert-butoxycarbonyl)amino]propanoic acid
AKOS007930195
Z-Dap(Boc)-OH, >=99.0% (TLC)
(2S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid
n-alpha-z-n-beta-boc-l-2,3-diaminopropionic acid
(s)-10,10-dimethyl-3,8-dioxo-1-phenyl-2,9-dioxa-4,7-diazaundecane-5-carboxylic acid
WJKGPJRAGHSOLM-LBPRGKRZSA-N
Z-Dap(Boc)-OH
AKOS005146347
DS-0969
A-Boc-L-2,3-diaminopropionic acid

MDL Number

MFCD00237342

Customs Code

2924299090

FAQ

What regulatory guidelines apply to N-[(Benzyloxy)carbonyl]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-alanine (CAS: 16947-84-5)?

N-[(Benzyloxy)carbonyl]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-alanine (CAS: 16947-84-5) is subject to GHS classification for hazardous chemicals, REACH regulations, and FDA/EPA requirements for safety, environmental, and health standards. Industry-specific regulations may also apply based on its intended use.

Are there alternatives to N-[(Benzyloxy)carbonyl]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-alanine (CAS: 16947-84-5) in synthesis?

Alternatives to N-[(Benzyloxy)carbonyl]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-alanine (CAS: 16947-84-5) in synthesis include related analogs and isomers such as N-[(tert-butoxy)carbonyl]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-alanine. Common alternative reagents include BOC-Cl and HOBt, which are often used for similar acylation reactions.

What is the market or research trend for N-[(Benzyloxy)carbonyl]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-alanine (CAS: 16947-84-5)?

The market and research trends for N-[(Benzyloxy)carbonyl]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-alanine (CAS: 16947-84-5) are driven by its applications in pharmaceutical and biotechnology industries. Recent research focuses on its use as a chiral building block for drug development and as a precursor in the synthesis of bioactive compounds. However, the evolving regulatory landscape and safety concerns may impact its use.

How should waste containing N-[(Benzyloxy)carbonyl]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-alanine (CAS: 16947-84-5) be handled?

Waste containing N-[(Benzyloxy)carbonyl]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-alanine (CAS: 16947-84-5) should be collected in appropriate containers and disposed of through professional incineration or other regulated waste disposal methods. Environmental protection precautions include ensuring containment to prevent spillage and contamination of soil and water. Local regulations must be followed for proper disposal.