tert-Butyl 3-(aminomethyl)benzoate

Name: tert-Butyl 3-(aminomethyl)benzoate
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CAS No. 102638-45-9
Cat. No. CS-0207523
Molecule weight207.27
Purity≥95%
MDL No.MFCD08275208

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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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tert-Butyl 3-(aminomethyl)benzoate|CS-0207523

Structure of 102638-45-9

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General Information

CAS No. 102638-45-9
Cat. No. CS-0207523
Purity ≥95%
MDL No. MFCD08275208
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₇NO₂
Molecular Weight 207.27
Synonym(s) Benzoic acid, 3-(aMinoMethyl)-, 1,1-diMethylethyl ester
SMILES CC(C)(C)OC(=O)C1=CC=CC(=C1)CN

Description

tert-Butyl 3-(aminomethyl)benzoate features a benzoyl scaffold bearing both a tert-butyl ester and a primary amine at the meta position, enabling direct functionalization. This dual functionality supports efficient coupling reactions and facilitates downstream derivatization in medicinal chemistry. The compound exhibits excellent stability under standard bench conditions and is compatible with common protecting group strategies.

Application

tert-Butyl 3-(aminomethyl)benzoate serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its benzoate scaffold enables facile functionalization at the para-position, while the pendant primary amine facilitates conjugation reactions, reductive amination, or incorporation into peptide-like frameworks. The tert-butyl ester group provides bench stability and can be selectively removed under mild acidic conditions, offering flexibility in late-stage deprotection during synthetic sequences.

Synthesis

Route1
- 1258285-76-5
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- In-stock
  
  102638-45-9
References
- Bioorganic and Medicinal Chemistry, , vol. 18, # 22 p. 7878 - 7889

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3259
Class : 8	Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H318-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P330-P363-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 52.32
LogP 2.1006
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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tert-Butyl 3-(aminomethyl)benzoate

CAS No. 102638-45-9

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