tert-Butyl(2-fluoro-4-formylphenyl)carbamate

Name: tert-Butyl(2-fluoro-4-formylphenyl)carbamate
Brand: ChemScene
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CAS No. 865450-09-5
Cat. No. CS-0171888
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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tert-Butyl(2-fluoro-4-formylphenyl)carbamate|CS-0171888

Structure of 865450-09-5

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General Information

CAS No. 865450-09-5
Cat. No. CS-0171888
Purity ≥98%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₄FNO₃
Molecular Weight 239.24
Synonym(s) 4-(Boc-amino)-3-fluorobenzaldehyde
SMILES CC(C)(OC(NC1=C(F)C=C(C=O)C=C1)=O)C

Description

tert-Butyl(2-fluoro-4-formylphenyl)carbamate features a fluorinated aromatic core with a formyl group at the para position, enabling direct functionalization in late-stage synthesis. The carbamate handle provides stable protection for amine intermediates and facilitates purification. This bench-stable reagent integrates seamlessly into multi-step routes requiring selective aldehyde coupling or derivatization.

Application

tert-Butyl(2-fluoro-4-formylphenyl)carbamate serves as a versatile building block for medicinal chemistry and process development, enabling direct functionalization at the formyl group via nucleophilic addition or condensation reactions. The ortho-fluoro substituent enhances electrophilicity at the adjacent carbonyl site and facilitates downstream coupling transformations. Its tert-butyl carbamate (Boc) protection ensures stability during purification and handling, while the formyl group offers high reactivity in standard amine-based cyclizations, oxime formations, and transition metal-catalyzed cross-couplings.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 55.4
LogP 2.9852
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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tert-Butyl(2-fluoro-4-formylphenyl)carbamate

CAS No. 865450-09-5

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