2-(2-((tert-Butoxycarbonyl)amino)phenyl)acetic acid

Name: 2-(2-((tert-Butoxycarbonyl)amino)phenyl)acetic acid
Brand: ChemScene
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CAS No. 135807-51-1
Cat. No. CS-0040630
Purity≥97%
MDL No.MFCD09750482

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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+
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2-(2-((tert-Butoxycarbonyl)amino)phenyl)acetic acid|CS-0040630

Structure of 135807-51-1

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General Information

CAS No. 135807-51-1
Cat. No. CS-0040630
Purity ≥97%
MDL No. MFCD09750482
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₇NO₄
Molecular Weight None
Synonym(s) BOC-(2-AMINOPHENYL)ACETIC ACID
SMILES O=C(O)CC1=CC=CC=C1NC(OC(C)(C)C)=O

Description

This boronate-bearing phenylacetic acid derivative features a protected amine group, enabling selective functionalization in complex synthetic sequences. The tert-butyl carbamate moiety ensures stability during handling and purification, while the carboxylic acid facilitates conjugation or derivatization under standard conditions.

Application

2-(2-((tert-Butoxycarbonyl)amino)phenyl)acetic acid serves as a versatile building block for the synthesis of bioactive heterocycles and peptide conjugates. The protected amine enables orthogonal functionalization, while the pendant carboxylic acid facilitates coupling reactions under standard conditions. Its bench-stable tert-butyl carbamate group simplifies purification and allows selective deprotection in multistep sequences, making it well-suited for medicinal chemistry campaigns requiring precise structural control.

Synthesis

Route1
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  135807-51-1
References
- US5102667 A1, ;
Route2
- 124-38-9
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  74965-31-4
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References
- Synthesis, , # 10 p. 871 - 878

Safety Information

Download SDS

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 75.63
LogP 2.6607
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(2-((tert-Butoxycarbonyl)amino)phenyl)acetic acid

CAS No. 135807-51-1

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