3-Amino-5-chlorophenol

Base Information

• Chemical Name: 3-Amino-5-chlorophenol
• CAS No.: 883195-40-2
• Molecular Formula: C6H6ClNO
• Molecular Weight: 143.573
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID70601689
• Nikkaji Number: J160.866E
• Wikidata: Q82498479
• Mol file: 883195-40-2.mol

Synonyms:3-Amino-5-chlorophenol;883195-40-2;Phenol, 3-amino-5-chloro-;MFCD16999375;3-amino-5-chloro-phenol;SCHEMBL940011;DTXSID70601689;JOBPGDXYRPFRIV-UHFFFAOYSA-N;CL9455;AKOS006341018;DS-5884;DA-24227;SY114281;CS-0113697;A862245

Chemical Property of 3-Amino-5-chlorophenol

Chemical Property:

• PSA: 46.25000
• LogP: 2.20900
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.3
• 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:

97% ^*data from raw suppliers

3-Amino-5-chlorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1O)Cl)N
• Uses: 3-Amino-5-chlorophenol is a useful compound for studying the recyclization with benzoxazinones.

Technology Process of 3-Amino-5-chlorophenol

There total 6 articles about 3-Amino-5-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: 77.0%

3-chloro-5-nitrophenol (618-63-3) → 3-amino-5-chlorophenol (883195-40-2)

Guidance literature:

With ammonium chloride; zinc; In ethanol; water; at 60 ℃; for 3h;

Reference yield: 55.0%

3-chloro-5-methoxyaniline (10272-06-7) → 3-amino-5-chlorophenol (883195-40-2)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 18h; Molecular sieve; Inert atmosphere;

DOI:10.1002/cmdc.201900376

Reference yield: 55.0%

→ 3-amino-5-chlorophenol (883195-40-2)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 18h; Molecular sieve; Inert atmosphere; Sealed tube;

upstream raw materials:

3-chloro-5-nitrophenol

5-Nitro-2-aminophenol

3-chloro-5-methoxyaniline

1-chloro-3-methoxy-5-nitrobenzene

Downstream raw materials:

3-bromo-5-chlorophenol

N-(3-chloro-5-hydroxyphenyl)acetamide

Refernces

• 1、 -. "COMPOUNDS, COMPOSITIONS AND METHODS OF USE". Page/Page column 115-116; 141-142; 203. . Retrieved 2020/07/06.
• 2、 Wang, Suhua,Yang, Jingshu,Li, Xueyuan,Liu, Zijie,Wu, Youzhen,Si, Guangxu,Tao, Yiran,Zhao, Nan,Hu, Xiao,Ma, Yao,Liu, Gang. "Discovery of 1,4-Benzodiazepine-2,5-dione (BZD) Derivatives as Dual Nucleotide Binding Oligomerization Domain Containing 1/2 (NOD1/NOD2) Antagonists Sensitizing Paclitaxel (PTX) to Suppress Lewis Lung Carcinoma (LLC) Growth in Vivo". supporting information. p. 5162 - 5192. Retrieved 2017/06/28.