4-(tert-Butyl)-3-chloroaniline

Name: 4-(tert-Butyl)-3-chloroaniline
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CAS No. 52756-36-2
Cat. No. CS-0029846
Molecule weightNone
Purity≥98%
MDL No.MFCD09966032

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4-(tert-Butyl)-3-chloroaniline|CS-0029846

Structure of 52756-36-2

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General Information

CAS No. 52756-36-2
Cat. No. CS-0029846
Purity ≥98%
MDL No. MFCD09966032
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₄ClN
Molecular Weight None
Synonym(s) 4-tert-butyl-3-chlorobenzenamine
SMILES NC1=CC=C(C(C)(C)C)C(Cl)=C1

Description

4-(tert-Butyl)-3-chloroaniline features a sterically hindered tert-butyl group flanking a chlorinated aromatic ring, delivering enhanced stability and reduced reactivity. This electron-deficient aniline derivative facilitates selective coupling reactions in synthetic pathways requiring controlled nucleophilicity.

Application

4-(tert-Butyl)-3-chloroaniline serves as a valuable building block in medicinal chemistry and agrochemical synthesis, offering a sterically hindered arylamine with orthogonal reactivity. The tert-butyl group enhances metabolic stability and lipophilicity, while the chloro substituent enables subsequent cross-coupling reactions. Its bench-stable nature and compatibility with standard amine functionalization protocols facilitate efficient incorporation into complex molecular architectures.

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 26.02
LogP 3.2197
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(tert-Butyl)-3-chloroaniline

CAS No. 52756-36-2

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