(3S)-4-(Benzyloxy)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid

Basic Information

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CAS Number

30925-18-9

Molecular Formula

C16H21NO6

Molecular Weight

323.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

97.0 to 101.0 deg-C

Boiling Point

504.3±50.0 °C at 760 mmHg

Density

1.2190

Flash Point

258.8±30.1 °C

Solubility

Soluble in dichloromethane

Refractive Index

-22.6 ° (C=1, MeOH)

Specific Rotation

-24° (c=1, in MeOH)

SMILES

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

InChI

InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(9-13(18)19)14(20)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,19)/t12-/m0/s1

InChIKey

LDRWTKQWSXGSTM-LBPRGKRZSA-N

LogP

2.0977999999999994

Topological Polar Surface Area

101.92999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

423

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

HY-Y0028
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid
(s)-4-(benzyloxy)-3-(tert-butoxycarbonylamino)-4-oxobutanoic acid
B2408
1-Benzyl N-Boc-L-aspartate
N-(t-butoxycarbonyl)-L-aspartic acid 1-benzyl ester
Boc-L-Asp(H)-OBn
CS-B1295
(S)-2-tert-butoxycarbonylamino-succinic acid 1-benzyl ester
Boc-L-aspartic acid 1-benzyl ester
(2S)-2-tert-butoxycarbonylamino-succinic acid-1-benzyl ester
N-(tert-Butoxycarbonyl)-L-aspartic Acid 1-Benzyl Ester
(S)-2-(tert-Butoxycarbonylamino)succinic acid benzyl ester
(3S)-3-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-4-oxo-4-[(phenylmethyl)oxy]butanoic acid
Boc-L-aspartic acid a-benzyl ester
(2S)-2-tert-Butoxycarbonylamino-succinic acid 1-benzyl ester
AS-12266
(3S)-4-(benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid
N-Boc-L-aspartic Acid 1-Benzyl Ester
AKOS015924100
PD197312
Boc-Asp-OBzl
Boc-Asp-OBzl, >=98.0% (TLC)
SCHEMBL1093029
LDRWTKQWSXGSTM-LBPRGKRZSA-N
(S)-4-(benzyloxy)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid
A820657
N-alpha-t-Butyloxycarbonyl-L-aspartic acid alpha-benZyl ester (Boc-L-Asp-OBZl)
2(S)-tert-butoxycarbonylaminosuccinic acid 1-benzyl ester
30925-18-9
EN300-96887

MDL Number

MFCD00065563

Customs Code

2924299090

FAQ

What is (3S)-4-(Benzyloxy)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 30925-18-9)?

(3S)-4-(Benzyloxy)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid, or CAS 30925-18-9, is a chiral compound with a complex structure, featuring a benzyloxy, a 2-methyl-2-propanol-derived carbonyl-amino group, and an oxobutanoic acid moiety. This compound is used in pharmaceutical and chemical research for its distinctive properties.

What are the main uses of (3S)-4-(Benzyloxy)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 30925-18-9)?

(3S)-4-(Benzyloxy)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid is primarily used in pharmaceutical research as a precursor or intermediate. It is also utilized in the synthesis of other compounds with specific chemical properties due to its unique functional groups.

Is (3S)-4-(Benzyloxy)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 30925-18-9) safe?

While (3S)-4-(Benzyloxy)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 30925-18-9) is generally safe for laboratory use and industrial processes, it is essential to follow safety guidelines, including wearing appropriate personal protective equipment and ensuring proper ventilation. Prolonged exposure or accidental ingestion should be avoided, and users should be aware of potential skin irritation and inhalation risks.

How should (3S)-4-(Benzyloxy)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 30925-18-9) be stored?

(3S)-4-(Benzyloxy)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 30925-18-9) should be stored in a cool, dry place, away from direct sunlight and heat sources. It is recommended to store the compound in a sealed container to prevent moisture absorption and degradation. Special care should be taken to ensure that the storage area has proper ventilation to minimize the risk of inhalation exposure.