(2-Methylallyl)benzene

Name: (2-Methylallyl)benzene
Brand: ChemScene
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CAS No. 3290-53-7
Cat. No. CS-0451102
Purity≥98%
MDL No.MFCD00039815

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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General Information

CAS No. 3290-53-7
Cat. No. CS-0451102
Purity ≥98%
MDL No. MFCD00039815
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₂
Molecular Weight 132.20
Synonym(s) 2-Methyl-3-phenyl-1-propene
SMILES C=C(C)CC1=CC=CC=C1

Description

(2-Methylallyl)benzene features a conjugated vinyl group appended to a benzene ring, enabling efficient integration into transition metal-catalyzed coupling reactions. The pendant methyl substituent enhances steric profile and electronic modulation, offering improved selectivity in C–H functionalization processes. This compound serves as a robust building block for synthesizing complex aromatic architectures under standard conditions.

Application

(2-Methylallyl)benzene serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aromatic systems. Its allylic moiety facilitates electrophilic substitution, transition-metal-catalyzed coupling reactions, and selective functionalization under mild conditions. The molecule exhibits excellent bench stability, ease of purification, and compatibility with common protecting groups, making it well-suited for iterative synthesis workflows in medicinal chemistry and materials science applications.

Safety Information

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GHS Pictogram :	GHS No : GHS02
Signal Word : Danger	UN#: 3295
Class : 3	Packing Group : Ⅲ
Hazard Statements : H225
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P501

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Computational Chemistry Data

TPSA 0
LogP 2.8052
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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(2-Methylallyl)benzene

CAS No. 3290-53-7

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