205318-52-1

Basic information

• Product Name: 3-(AMINOMETHYL)-1-N-BOC-ANILINE
• Synonyms: TERT-BUTYL 3-(AMINOMETHYL)PHENYLCARBAMATE;3-(TERT-BUTOXYCARBONYLAMINO)BENZYLAMINE;(3-AMINOMETHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER;3-(AMINOMETHYL)-1-N-BOC-ANILINE;tert-butyl N-[3-(aMinoMethyl)phenyl]carbaMate;CarbaMic acid, N-[3-(aMinoMethyl)phenyl]-, 1,1-diMethylethyl ester;3-(Boc-aMino)benzylaMine;3-Aminobenzylamine, 3-BOC protected, 3-[(tert-Butoxycarbonyl)amino]benzylamine, tert-Butyl [3-(aminomethyl)phenyl]carbamate
• CAS NO: 205318-52-1
• Molecular Formula: C₁₂H₁₈N₂O₂
• Molecular Weight: 222.28
• Mol File: 205318-52-1.mol

Chemical Properties

• Melting Point: 135-138°C
• Boiling Point: 299.5 °C at 760 mmHg
• Flash Point: 134.9 °C
• Appearance: /
• Density: 1.12 g/cm³
• Vapor Pressure: 0.00119mmHg at 25°C
• Refractive Index: 1.564
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 13.72±0.70(Predicted)
• CAS DataBase Reference: 3-(AMINOMETHYL)-1-N-BOC-ANILINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(AMINOMETHYL)-1-N-BOC-ANILINE(205318-52-1)
• EPA Substance Registry System: 3-(AMINOMETHYL)-1-N-BOC-ANILINE(205318-52-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36/37/39-36/37
• Hazardous Substances Data: 205318-52-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research and Development:
3-(AMINOMETHYL)-1-N-BOC-ANILINE is used as a building block for the synthesis of various pharmaceuticals, contributing to the development of new drugs and therapeutic agents. Its protective BOC group allows for selective reactions and the creation of complex molecular structures.
Used in Agrochemicals:
In the agrochemical industry, 3-(AMINOMETHYL)-1-N-BOC-ANILINE is used as an intermediate for the preparation of agrochemicals, such as pesticides and herbicides, to enhance crop protection and yield.
Used in Specialty Chemicals:
3-(AMINOMETHYL)-1-N-BOC-ANILINE is utilized as a key intermediate in the synthesis of specialty chemicals, which are used in various applications, including coatings, adhesives, and polymers, due to its ability to be modified with different functional groups.
Used in Organic Synthesis:
As a reagent in organic synthesis, 3-(AMINOMETHYL)-1-N-BOC-ANILINE is employed for the synthesis of new chemical entities and drug candidates, playing a crucial role in the discovery and development of novel compounds with potential applications in various industries.

InChI:InChI=1/C12H18N2O2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h4-7H,8,13H2,1-3H3,(H,14,15)

Upstream product

• 1038549-44-8 3-t-butoxycarbonylaminobenzylammonium chloride 
• 219706-58-8 tert-butyl (3-(chloromethyl)phenyl)carbamate 
• 111331-82-9 3-[(tert-butoxycarbonyl)amino]benzoic acid 
• 118684-31-4 tert-butyl N-[3-(hydroxymethyl)phenyl]carbamate 

Downstream Products

• 637358-27-1 tert-butyl 3-{[(1,1'-biphenyl-4-ylcarbonyl)amino]methyl}phenylcarbamate 
• 1038551-26-6 {3-[(3,4-dimethoxybenzoylamino)methyl]phenyl}carbamic acid tert-butyl ester 
• 1346771-60-5 C₁₇H₂₂ClN₃O₄S 
• 1431958-42-7 C₂₅H₂₁N₅O₂ 
• 1431958-95-0 C₁₆H₁₆ClN₅O 
• 1431958-43-8 C₂₂H₂₁N₅O₂ 
• 1431958-44-9 C₂₀H₁₉N₅O₂ 
• 1431958-45-0 C₂₆H₂₃N₅O₃ 
• 188751-44-2 3-N-((tert-butyloxy)carbonylamino)benzyl-4-nitrophenyl carbonate 
• 1431959-89-5 C₁₉H₂₁N₃O₆ 
• 1363155-23-0 tert-butyl 3-((3-(4-(phenylsulfonyl)phenyl)ureido)methyl)phenylcarbamate 
• 1363132-61-9 3-[(3-aminophenyl)methyl]-1-[4-(benzenesulfonyl)phenyl]urea 

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