4-Amino-3-chlorophenol

Base Information

• Chemical Name: 4-Amino-3-chlorophenol
• CAS No.: 17609-80-2
• Molecular Formula: C6H6 Cl N O
• Molecular Weight: 143.573
• Hs Code.: 2922299090
• European Community (EC) Number: 241-583-3
• DSSTox Substance ID: DTXSID30170083
• Nikkaji Number: J82.651K
• Wikidata: Q72434616
• Mol file: 17609-80-2.mol

Synonyms:3-chloro-4-aminophenol;4-amino-3-chlorophenol

Chemical Property of 4-Amino-3-chlorophenol

Chemical Property:

• Vapor Pressure: 0.00074mmHg at 25°C
• Melting Point: 159-160℃
• Boiling Point: 287.3°Cat760mmHg
• PKA: 9.26±0.18(Predicted)
• Flash Point: 127.6°C
• PSA: 46.25000
• Density: 1.406g/cm³
• LogP: 2.20900
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 143.0137915
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-3-chlorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)Cl)N
• Uses: 4-Amino-3-Chlorophenol acts as a synthetic reagent for the preparation of Benzothiazole-based ureas as potential ABAD/17β-HSD10 modulators for Alzheimer''s disease treatment.

Technology Process of 4-Amino-3-chlorophenol

There total 17 articles about 4-Amino-3-chlorophenol 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: 88.0%

3-chloro-4-nitrophenol (491-11-2) → 4-amino-3-chlorophenol (17609-80-2)

Guidance literature:

With iron; acetic acid; at 26 - 80 ℃; for 16h;

Reference yield: 87.8%

4'-acetoxy-2'-chloroacetanilide (60144-85-6) → 4-amino-3-chlorophenol (17609-80-2)

Guidance literature:

With potassium hydroxide; at 90 - 100 ℃; for 12h; Reagent/catalyst; Temperature;

Reference yield: 83.09%

C12H8ClN2O3S(1-)*Na(1+) → 4-amino-3-chlorophenol (17609-80-2)

Guidance literature:

With formic acid; zinc; at 20 ℃; for 3h; Concentration; Reagent/catalyst; Flow reactor;

upstream raw materials:

1-azido-2-chlorobenzene

3-chloro-4-nitrophenol

4'-acetoxy-2'-chloroacetanilide

2-Chloronitrobenzene

Downstream raw materials:

2-chloro-4-(5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)aniline

2-chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-oxy]aniline

4-(4-amino-3-chlorophenoxy)-6-iodopyrimidine-5-amine

2-chloro-4-[(5-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline

Refernces

• 1、 -. "TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME". Paragraph 0342; 0343. . Retrieved 2018/03/25.
• 2、 -. "Synthesis method of important pharmaceutical and chemical intermediate 4-amino-3-chlorophenol". Paragraph 0038. . Retrieved 2017/08/29.