5-Bromonaphthalen-1-amine

Base Information

• Chemical Name: 5-Bromonaphthalen-1-amine
• CAS No.: 4766-33-0
• Molecular Formula: C10H8BrN
• Molecular Weight: 222.084
• Hs Code.: 2921450090
• European Community (EC) Number: 676-034-0
• DSSTox Substance ID: DTXSID90597676
• Wikidata: Q72438705
• Mol file: 4766-33-0.mol

Synonyms:5-bromonaphthalen-1-amine;4766-33-0;5-Bromo-naphthalen-1-ylamine;1-amino-5-bromonaphthalene;5-bromo-1-naphthylamine;MFCD07369883;1-Naphthalenamine, 5-bromo-;5-Bromo-1-naphthalenamine;5-Amino-1-bromonaphthalene;SCHEMBL150437;DTXSID90597676;VNPCNUAYDOLBDR-UHFFFAOYSA-N;AMY36969;AKOS002391334;CS-W005022;PS-7839;5-bromo-naphthalen-1-ylamine, AldrichCPR;AC-29762;DA-18192;SY058073;A13714;EN300-118874

Chemical Property of 5-Bromonaphthalen-1-amine

Chemical Property:

• Vapor Pressure: 2.63E-05mmHg at 25°C
• Melting Point: 66-68 °C
• Refractive Index: 1.718
• Boiling Point: 358 °C at 760 mmHg
• PKA: 3.35±0.10(Predicted)
• Flash Point: 170.3 °C
• PSA: 26.02000
• Density: 1.563 g/cm³
• LogP: 3.76570
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Very Slightly)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 220.98401
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Bromonaphthalen-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=CC=C2Br)C(=C1)N
• Uses: 5-Bromonaphthalen-1-amine has inhibitory activity against KRAS G12D mutation.

Technology Process of 5-Bromonaphthalen-1-amine

There total 8 articles about 5-Bromonaphthalen-1-amine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

1-bromo-5-nitronaphthalene (5328-76-7) → 5-amino-1-bromonaphthalene (4766-33-0)

Guidance literature:

With hydrogenchloride; iron; In 1,4-dioxane; ethanol; acetic acid; at 100 ℃; for 2h;

DOI:10.1039/b413376e

Reference yield:

1-Nitronaphthalene (86-57-7) → 5-amino-1-bromonaphthalene (4766-33-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 50 percent / Br₂; FeCl₃ / 2 h / 90 °C

2: 97 percent / Fe; aq. HCl / ethanol; acetic acid; dioxane / 2 h / 100 °C

With hydrogenchloride; bromine; iron(III) chloride; iron; In 1,4-dioxane; ethanol; acetic acid;

DOI:10.1039/b413376e

Reference yield:

5-bromo-1-naphthalenecarboxylic acid (16726-67-3) → 5-amino-1-bromonaphthalene (4766-33-0)

Guidance literature:

Multistep reaction; (i) NaN₃, (ii) aq. NH₃;

DOI:10.1021/ja00423a012

upstream raw materials:

1-bromo-5-nitronaphthalene

5-bromo-1-naphthalenecarboxylic acid

hydrogenchloride

1-naphthalenecarboxylic acid

Downstream raw materials:

5-bromo-1-naphthol

1-bromo-5-fluoronaphthalene

1-Bromo-5-chloronaphthalene

5-bromo-1-iodonaphthalene

Refernces

• 1、 -. "NOVEL DYES WITH PHOSPHINIC ACID, PHOSPHINATE, PHOSPHONATE AND PHOSPHONAMIDATE SUBSTITUENTS AS AUXOCHROMIC GROUPS AND METHODS FOR PREPARING THE SAME". Paragraph 0260-0262. . Retrieved 2018/08/25.
• 2、 Kang, Taewon,Kim, Hongsik,Lee, Dongwhan. "Triazoliptycenes: A Twist on Iptycene Chemistry for Regioselective Cross-Coupling to Build Nonstacking Fluorophores". supporting information. p. 6380 - 6383. Retrieved 2017/12/08.