N-Boc-m-Phenylenediamine

Name: N-Boc-m-Phenylenediamine
Brand: ChemScene
Availability: InStock
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CAS No. 68621-88-5
Cat. No. CS-D1252
Purity≥97%
MDL No.MFCD06657915

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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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Structure of 68621-88-5

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General Information

CAS No. 68621-88-5
Cat. No. CS-D1252
Purity ≥97%
MDL No. MFCD06657915
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₆N₂O₂
Molecular Weight None
Synonym(s) tert-Butyl (3-aminophenyl)carbamate
SMILES NC1=CC(NC(OC(C)(C)C)=O)=CC=C1

Application

N-Boc-m-Phenylenediamine serves as a versatile building block for the synthesis of functionalized aromatic heterocycles and pharmaceutical intermediates. The Boc-protected diamine enables selective functionalization under mild conditions, with excellent bench stability and straightforward deprotection. Its meta-substitution pattern facilitates orthogonal reactivity in multi-step syntheses, making it ideal for constructing complex scaffolds in medicinal chemistry and materials science applications.

Synthesis

Route1
- In-stock
  
  18437-64-4
- ~98%
- In-stock
  
  68621-88-5
References
- McDonald, Iain M.; Austin, Carol; Buck, Ildiko M.; Dunstone, David J.; Griffin, Eric; Harper, Elaine A.; Hull, Robert A. D.; Kalindjian, S. Barret; Linney, Ian D.; Low, Caroline M. R.; Pether, Michael J.; Spencer, John; Wright, Paul T.; Adatia, Trushar; Bashall, Alan Journal of Medicinal Chemistry, 2006 , vol. 49, # 7 p. 2253 - 2261
Route2
- In-stock
  
  24424-99-5
- 108-45-2
- ~92%
- In-stock
  
  68621-88-5
References
- PROMETIC BIOSCIENCES INC. Patent: WO2006/136005 A1, 2006 ; Location in patent: Page/Page column 22; 23 ;
Route3
- 541-69-5
- In-stock
  
  58632-95-4
- ~64%
- In-stock
  
  68621-88-5
References
- Seto, Christopher T.; Whitesides, George M. Journal of the American Chemical Society, 1993 , vol. 115, # 3 p. 905 - 916

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-H319
Precautionary Statements : P264-P270-P280-P301+P310-P305+P351+P338-P330-P337+P313-P501

Quality Control

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Computational Chemistry Data

TPSA 64.35
LogP 2.6158
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Boc

Building Blocks Functional Group Amine

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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N-Boc-m-Phenylenediamine

CAS No. 68621-88-5

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