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CS-W001157 4
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3-(tert-Butoxycarbonyl)benzoic acid

  • CAS No. 33704-19-7

  • Cat. No. CS-0147128
  • Purity≥98%
  • MDL No.MFCD04037899

*For research and further manufacturing use only, not for direct human use.

3-(tert-Butoxycarbonyl)benzoic acid|CS-0147128

Structure of 33704-19-7

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General Information

  • CAS No. 33704-19-7
  • Cat. No. CS-0147128
  • Purity ≥98%
  • MDL No. MFCD04037899
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₄
  • Molecular Weight 222.24
  • Synonym(s) mono-(tert-Butyl) isophthalate
  • SMILES O=C(O)C1=CC=CC(C(OC(C)(C)C)=O)=C1

Description

3-(tert-Butoxycarbonyl)benzoic acid features a protected carboxylic acid group flanked by an electron-rich aromatic ring, enabling selective derivatization in peptide synthesis. The tert-butyl ester moiety offers robust stability under basic conditions and can be cleaved efficiently with mild acid, facilitating downstream functionalization. This derivative integrates cleanly into multi-step synthetic sequences requiring orthogonal protection strategies.

Application

3-(tert-Butoxycarbonyl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling efficient synthesis of substituted benzoic acid derivatives. The tert-butoxycarbonyl (Boc) group provides robust protection for primary amines under acidic conditions, while the carboxylic acid functionality allows for direct coupling reactions or selective derivatization. Its stability under standard bench conditions and ease of purification make it ideal for multi-step synthetic sequences and API intermediate development.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   2.3401
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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