tert-Butyl 4-nitrobenzylcarbamate

Basic Information

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CAS Number

94838-58-1

Molecular Formula

C12H16N2O4

Molecular Weight

252.27 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

Boiling Point

408.8°C at 760 mmHg

SMILES

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CC(C)(C)OC(=O)NCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O4/c1-12(2,3)18-11(15)13-8-9-4-6-10(7-5-9)14(16)17/h4-7H,8H2,1-3H3,(H,13,15)

InChIKey

NXHDMOGWVRMCTL-UHFFFAOYSA-N

LogP

3.53360

Complexity

298

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

tert-Butyl 4-nitrobenzylcarbamate
TERT-BUTYL (4-NITROBENZYL)CARBAMATE
Carbamic acid,N-[(4-nitrophenyl)methyl]-, 1,1-dimethylethyl ester
tert-butyl N-[(4-nitrophenyl)methyl]carbamate
Carbamic acid, [(4-nitrophenyl)methyl]-, 1,1-dimethylethyl ester (9CI)
(4-Nitrobenzyl)carbamic acid tert-butyl ester
4-[(N-tert-Butoxycarbonylamino)methyl]nitrobenzene
4-[(tert-Butoxycarbonylamino)methyl]nitrobenzene
tert-Butyl N-(4-nitrobenzyl)carbamate
DTXSID20442509
SY032055
(4-Nitrobenzyl)carbamic acid-tert-butyl ester
(4-nitrobenzyl)carbamic acid t-butyl ester
DB-266774
N-Boc-4-nitrobenzylamine
tert-Butyl4-nitrobenzylcarbamate
N-tertiary-butyloxycarbonyl-4-nitrobenzylamine
N-tertiary-butyloxycarbonyl 4-nitrobenzylamine
AB49516
p-BocNHCH2C6H4NO2
MFCD09038178
AC-29657
(4-Nitro-benzyl)-carbamic acid tert-butyl ester
tert-butyl 4-nitrobenylcarbamate
F31260
CS-0154393
TERT-BUTYL(4-NITROBENZYL)CARBAMATE
Tert-butyl N-[(4-nitrophenyl)methyl]carbamate
DS-5967
AKOS013101184
NXHDMOGWVRMCTL-UHFFFAOYSA-N

MDL Number

MFCD09038178

Customs Code

2924299090

FAQ

What regulatory guidelines apply to tert-Butyl 4-nitrobenzylcarbamate (CAS: 94838-58-1)?

Regulatory guidelines applicable to tert-Butyl 4-nitrobenzylcarbamate (CAS: 94838-58-1) include GHS classification, REACH regulations, and FDA/EPA requirements. GHS classifies it as a hazardous chemical due to its reactivity and potential toxicity. REACH regulations mandate detailed safety data sheets and registration for substances above 1 ton per year. FDA and EPA may regulate its use in specific applications such as pharmaceuticals and pesticides, requiring compliance with good manufacturing practices and environmental regulations.

Are there alternatives to tert-Butyl 4-nitrobenzylcarbamate (CAS: 94838-58-1) in synthesis?

Alternatives to tert-Butyl 4-nitrobenzylcarbamate (CAS: 94838-58-1) in synthesis include other carbamates such as tert-Butyl 4-aminobenzylcarbamate and various nitrobenzyl derivatives. Isomers like 4-chloro-4-nitrobenzylcarbamate are also used. Common alternative reagents include N,N-diisopropylethylamine and triethylamine, which can be used in similar reactions to introduce the carbamate group.

What is the market or research trend for tert-Butyl 4-nitrobenzylcarbamate (CAS: 94838-58-1)?

The market trend for tert-Butyl 4-nitrobenzylcarbamate (CAS: 94838-58-1) reflects increasing interest in its use as a versatile reagent in organic synthesis, particularly in drug discovery and chemical research. Research trends focus on its applications in peptide synthesis and as a coupling reagent. The demand is expected to grow due to its stability and reactivity, although safety concerns may limit its use in certain applications.

How should waste containing tert-Butyl 4-nitrobenzylcarbamate (CAS: 94838-58-1) be handled?

Waste containing tert-Butyl 4-nitrobenzylcarbamate (CAS: 94838-58-1) should be collected in appropriate containers and stored separately to avoid mixing with other chemicals. Incineration is a common disposal method, and professional waste disposal services are recommended for large quantities. Environmental precautions include ensuring no release into water systems and proper ventilation during handling. Always follow local regulations and guidelines for hazardous waste disposal.