146651-75-4

Basic information

• Product Name: (2-AMINO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
• Synonyms: CarbaMic acid, N-(2-aMinophenyl)-, 1,1-diMethylethyl ester;N-(2-AMinophenyl)carbaMic Acid 1,1-DiMethylethyl Ester;N-tert-Butoxycarbonyl-o-phenylenediaMine;N-(tert-Butoxycarbonyl)-1,2-phenylenediamine;(2-AMINO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER;TIMTEC-BB SBB000475;N-BOC-1,2-DIAMINOBENZENE;N-B0C-1,2-PHENYLENEDIAMINE
• CAS NO: 146651-75-4
• Molecular Formula: C₁₁H₁₆N₂O₂
• Molecular Weight: 208.26
• Product Categories: Aromatics;Intermediates;N-BOC;Aromatic Building Blocks;Amines
• Mol File: 146651-75-4.mol

Chemical Properties

• Melting Point: 109-114 °C
• Boiling Point: 280.6 °C at 760 mmHg
• Flash Point: 123.5 °C
• Appearance: /
• Density: 1.152 g/cm³
• Vapor Pressure: 0.00375mmHg at 25°C
• Refractive Index: 1.582
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 13.47±0.70(Predicted)
• CAS DataBase Reference: (2-AMINO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: (2-AMINO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER(146651-75-4)
• EPA Substance Registry System: (2-AMINO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER(146651-75-4)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22-43
• Safety Statements: 36/37
• WGK Germany: 3
• Hazardous Substances Data: 146651-75-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
(2-AMINO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER is used as an intermediate compound for the synthesis of histone deacetylase agents and antitumor agents. Its primary application is in the development of pharmaceuticals that target cancer cells, making it a valuable component in the fight against various types of cancer.
Used in Synthesis of Histone Deacetylase Agents:
In the pharmaceutical industry, (2-AMINO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER is used as a key intermediate in the synthesis of histone deacetylase agents. These agents are known to play a significant role in the regulation of gene expression and are often targeted in the treatment of cancer.
Used in Synthesis of Antitumor Agents:
Additionally, (2-AMINO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER is utilized in the synthesis of antitumor agents, which are designed to inhibit the growth and proliferation of tumor cells. Its role in the development of these agents highlights its importance in the pharmaceutical industry and its potential impact on cancer treatment.

Purification Methods

Purify the ester by crystallisation from CHCl3/hexane (1:1, v/v) and dry it in vacuo. [Seto et al. J Am Chem Soc 115 1321 1993, Seto et al. J Am Chem Soc 127 11442 2005.]

InChI:InChI=1/C11H16N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,12H2,1-3H3,(H,13,14)

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 95-54-5 1,2-diamino-benzene 
• 90209-81-7 pyridine-2-carboxylic acid (2-amino-phenyl)-amide 
• 34619-03-9 tert-butyldicarbonate 
• 327046-79-7 tert-butyl (4-bromo-2-nitrophenyl)carbamate 
• 875-51-4 4-Bromo-2-nitroaniline 
• 54614-93-6 (2-nitro-phenyl)-carbamic acid tert-butyl ester 
• 88-74-4 2-nitro-aniline 
• 78558-73-3 2-(tert-butoxycarbonylamino)-2-phenylacetonitrile 
• 86031-24-5 O-(tert-butoxycarbonyl)hydroxylamine 
• 80994-44-1 {[(tert-butoxycarbonyl)oxy]amino}(phenyl)acetonitrile 
• 58632-95-4 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile 

Downstream Products

• 192518-51-7 C₂₉H₃₃N₅O₆ 
• 192138-71-9 C₂₃H₃₇N₇O₈ 
• 303130-83-8 3-[2-(N-tert-Butoxycarbonylamino)anilino]-5-chloro-4H-1,2,6-thiadiazin-4-one 
• 289906-10-1 4-[(2-t-butoxycarbonylamino-1-phenyl)-carbamoyl]-2-decanoyl-amino-butyric acid benzyl ester 
• 324524-85-8 2-(2-tert-butoxycarbonylamino-phenylamino)-4-phenyl-but-3-enoic acid 
• 370069-26-4 {2-[(1-tert-butylcarbamoyl-3-methyl-butyl)-(2-fluoro-5-nitro-benzoyl)-amino]-phenyl}-carbamic acid tert-butyl ester 

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