180079-59-8

Basic information

• Product Name: [1-(3-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
• Synonyms: tert-Butyl [1-(3-aminophenyl)ethyl]carbamate;tert-Butyl N-[1-(3-aminophenyl)ethyl]carbamate;[1-(3-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
• CAS NO: 180079-59-8
• Molecular Formula: C₁₃H₂₀N₂O₂
• Molecular Weight: 236.31
• Mol File: 180079-59-8.mol

Chemical Properties

• Boiling Point: 388°Cat760mmHg
• Flash Point: 188.5°C
• Appearance: /
• Density: 1.073g/cm³
• Vapor Pressure: 3.15E-06mmHg at 25°C
• Refractive Index: 1.534
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 12.13±0.46(Predicted)
• CAS DataBase Reference: [1-(3-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: [1-(3-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER(180079-59-8)
• EPA Substance Registry System: [1-(3-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER(180079-59-8)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 180079-59-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research:
[1-(3-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER is used as a building block for the development of new drugs and biologically active molecules, contributing to the advancement of pharmaceuticals through its versatile chemical structure.
Used in Organic Synthesis:
In the field of organic synthesis, [1-(3-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER is utilized as a key intermediate, facilitating the synthesis of complex organic compounds and contributing to the discovery of novel chemical entities.
Used in Pesticide and Insecticide Development:
[1-(3-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER is explored as a potential pesticide and insecticide, leveraging its chemical properties to control and manage pest populations in agriculture and other settings.

InChI:InChI=1/C13H20N2O2/c1-9(10-6-5-7-11(14)8-10)15-12(16)17-13(2,3)4/h5-9H,14H2,1-4H3,(H,15,16)

Upstream product

• 180079-58-7 N-(1-(3-nitrophenyl)ethyl)carbamic acid t-butyl ester 
• 24424-99-5 di-tert-butyl dicarbonate 
• 76935-75-6 2-(3-aminophenyl)ethylamine 

Relevant articles and documents

Aniline derivatives possessing an inhibitory effect of nitric oxide synthase

Compounds represented by the general formula (1): ? (where R1is SR6or NR7R8, where R6is typically an alkyl group having 1-6 carbon atoms, R7is a hydrogen atom, an alkyl group having 1-6 carbon atoms or a nitro group, and R8is a hydrogen atom or an alkyl group having 1-6 carbon atoms; R2and R3are each typically a hydrogen atom or an alkyl group having 1-6 carbon atoms; R4is a hydrogen atom, an alkyl group having 1-6 carbon atoms or an amidino group of which the amine portion may be substituted by an alkyl or nitro group; R5is a hydrogen atom or an alkyl group having 1-6 carbon atoms; Y1, Y2, Y3and Y4which may be the same or different are each typically a hydrogen atom, a halogen atom or an alkoxy group having 1-6 carbon atoms; n and m are each an integer of 0 or 1), or possible stereoisomers or optically active forms of the compounds or pharmaceutically acceptable salts thereof. The compounds possess a potent nitric oxide synthase inhibiting activity and are useful as therapeutics of cerebrovascular diseases.

Selective neuronal nitric oxide synthase inhibitors

Peptidomimetic compositions for selective inhibition of neuronal nitric oxide synthase.

Methods for inhibiting mrp1

The present invention relates to a compound of formula (I), which is useful for inhibiting resistant neoplasms where the resistance is conferred in part or in total by MRP1.