1-Methyl-2-(prop-1-en-2-yl)benzene

Name: 1-Methyl-2-(prop-1-en-2-yl)benzene
Brand: ChemScene
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CAS No. 7399-49-7
Cat. No. CS-0182189
Purity≥98%
MDL No.MFCD00049092

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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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1-Methyl-2-(prop-1-en-2-yl)benzene|CS-0182189

Structure of 7399-49-7

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Description

1-Methyl-2-(prop-1-en-2-yl)benzene features a fused aromatic ring system with a methyl group and a sterically hindered isopropenyl substituent, enabling robust participation in electrophilic substitution reactions. This structure imparts enhanced stability under standard bench conditions while facilitating efficient integration into complex molecular architectures.

Application

1-Methyl-2-(prop-1-en-2-yl)benzene serves as a versatile aryl building block in synthetic organic chemistry, featuring a methyl group and a gem-dimethyl-substituted vinyl moiety on adjacent ring positions. The propenyl substituent enables facile Diels-Alder cycloadditions and palladium-catalyzed coupling reactions, while the alkylated benzene core offers enhanced stability and ease of purification. Its defined regiochemistry and bench-stable nature facilitate reliable use in multi-step syntheses of functionalized arenes and heterocyclic scaffolds.

General Information

CAS No. 7399-49-7
Cat. No. CS-0182189
Purity ≥98%
MDL No. MFCD00049092
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₂
Molecular Weight 132.20
Synonym(s) o-Isopropenyltoluene
SMILES C=C(C1=CC=CC=C1C)C

Computational Chemistry Data

TPSA 0
LogP 3.02812
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS02
Signal Word : Danger	UN#: 3295
Class : 3	Packing Group : Ⅲ
Hazard Statements : H226-H315-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P280-P362-P370+P378-P501

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Methyl-2-(prop-1-en-2-yl)benzene

CAS No. 7399-49-7

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