tert-Butyl (3-amino-4-methylphenyl)carbamate

Basic Information

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CAS Number

660838-05-1

Molecular Formula

C12H18N2O2

Molecular Weight

222.29 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

308.6±35.0℃ at 760 mmHg

SMILES

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CC1=C(C=C(C=C1)NC(=O)OC(C)(C)C)N

InChI

InChI=1S/C12H18N2O2/c1-8-5-6-9(7-10(8)13)14-11(15)16-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15)

InChIKey

HOVDUPXBRBXFBP-UHFFFAOYSA-N

LogP

2.924220000000001

Topological Polar Surface Area

64.35 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

248

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

tert-Butyl (3-amino-4-methylphenyl)carbamate
(3-AMINO-4-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
(3-Amino-4-methylphenyl)carbamic acid tert-butyl ester
N1-Boc-4-methyl-1,3-phenylenediamine
tert-butyl N-(3-amino-4-methylphenyl)carbamate
2-methyl-5-t-butylcarbamate aniline
5-(BOC-AMINO)-2-METHYLANILINE
5-tert-butoxycarbonylamino-2-methylaniline
t-butyl 3-amino-4-methylphenylcarbamate
tert-butyl 3-amino-4-methylphenylcarbamate
Carbamic acid, (3-amino-4-methylphenyl)-, 1,1-dimethylethyl ester
HOVDUPXBRBXFBP-UHFFFAOYSA-N
0149AC
AB18561
AS
CS-0137774
Z295382466
t-Butyl 3-amino-4-methylphenylcarbamate
SCHEMBL714227
AS-36704
tert-butyl(3-amino-4-methylphenyl)carbamate
DB-073705
(3-Amino-4-methyl-phenyl)-carbamic acid tert-butyl ester;N1-Boc-4-methyl-1,3-phenylenediamine
AM807536
2-methyl-5-tert-butoxycarbonylamino-aniline
(3-amino-4-methylphenyl)carbamic acid tert-butyl ester
MFCD04114554
TERT-BUTYL 3-AMINO-4-METHYLPHENYLCARBAMATE
AKOS000179335
EN300-117199
SY026841

MDL Number

MFCD04114554

FAQ

What are the physical and chemical properties of tert-Butyl (3-amino-4-methylphenyl)carbamate (CAS: 660838-05-1)?

tert-Butyl (3-amino-4-methylphenyl)carbamate (CAS: 660838-05-1) is a white crystalline solid at room temperature. Its molecular weight is approximately 262.35 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. This compound is reactive and susceptible to hydrolysis, making it useful in various chemical synthesis processes.

How is tert-Butyl (3-amino-4-methylphenyl)carbamate (CAS: 660838-05-1) typically synthesized?

tert-Butyl (3-amino-4-methylphenyl)carbamate (CAS: 660838-05-1) is typically synthesized through the carbamoylation of 4-methylphenylamine with tert-butyl isocyanate. The reaction is usually performed in the presence of a suitable catalyst to enhance selectivity and yield. The product is isolated by recrystallization or chromatography.

What industries use tert-Butyl (3-amino-4-methylphenyl)carbamate (CAS: 660838-05-1)?

tert-Butyl (3-amino-4-methylphenyl)carbamate (CAS: 660838-05-1) is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the polymer industry, where it can act as a modifying agent. Additionally, it is used in the development of sensors and semiconductor materials due to its functional groups.

What precautions should be taken when handling tert-Butyl (3-amino-4-methylphenyl)carbamate (CAS: 660838-05-1)?

When handling tert-Butyl (3-amino-4-methylphenyl)carbamate (CAS: 660838-05-1), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat, to prevent skin and eye contact. Work in a well-ventilated area or a fume hood to minimize inhalation risks. In the case of a spill, immediately clean up the area using appropriate absorbent materials and follow standard laboratory safety procedures. Refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.