3-Chloro-4-isopropoxyaniline

Base Information

• Chemical Name: 3-Chloro-4-isopropoxyaniline
• CAS No.: 5211-04-1
• Molecular Formula: C9H12ClNO
• Molecular Weight: 185.653
• Hs Code.: 2922299090
• European Community (EC) Number: 853-484-8
• DSSTox Substance ID: DTXSID10424677
• Wikidata: Q82237349
• Mol file: 5211-04-1.mol

Synonyms:3-chloro-4-isopropoxyaniline;5211-04-1;3-Chloro-4-isopropoxy-phenylamine;3-chloro-4-propan-2-yloxyaniline;(3-chloro-4-isopropoxyphenyl)amine;Benzenamine, 3-chloro-4-(1-methylethoxy)-;3-chloro-4-(propan-2-yloxy)aniline;SCHEMBL2103199;DTXSID10424677;YXBDJALKYPUAFT-UHFFFAOYSA-N;MFCD08144823;STL196540;AKOS000102365;AM81186;3-Chloro-4-isopropoxyaniline, AldrichCPR;BB 0255111;FT-0768658;EN300-33556;AB00996808-01;Z239873346

Chemical Property of 3-Chloro-4-isopropoxyaniline

Chemical Property:

• PSA: 35.25000
• LogP: 3.29060
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 185.0607417
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

98%Min ^*data from raw suppliers

3-Chloro-4-isopropoxy-phenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=C(C=C(C=C1)N)Cl
• Uses: 3-Chloro-4-isopropoxy-phenylamine can be used to treat and prevent inflammatory, proliferative, and other kinase-mediated diseases. It can also be used as IgE and/or IgG receptor modulators to treat autoimmune diseases.

Technology Process of 3-Chloro-4-isopropoxyaniline

There total 3 articles about 3-Chloro-4-isopropoxyaniline 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: 36.0%

2-chloro 4-aminophenol (3964-52-1) + isopropyl bromide (75-26-3) → 3-Chloro-4-isopropoxy-phenylamine (5211-04-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 12h;

DOI:10.1021/acs.jmedchem.1c01979

Reference yield:

2-Chloro-1-isopropoxy-4-nitro-benzene (5210-99-1) → 3-Chloro-4-isopropoxy-phenylamine (5211-04-1)

Guidance literature:

2-Chloro-1-isopropoxy-4-nitro-benzene; With hydrogenchloride; iron; In methanol; at 20 ℃;

With sodium hydrogencarbonate; In methanol; water;

Reference yield:

→ 3-Chloro-4-isopropoxy-phenylamine (5211-04-1)

Guidance literature:

upstream raw materials:

2-Chloro-1-isopropoxy-4-nitro-benzene

2-chloro 4-aminophenol

isopropyl bromide

Downstream raw materials:

4'-(Isopropoxy)-3'-chloro-1-methoxycyclopropanecarboxanilide

4'-(isopropoxy)-3'-chloro-1-methylcyclopropanecarboxanilide

C₁₉H₁₇ClN₂O₃

5-(4-(1,3-dioxolan-2-yl)phenyl)-N-(3-chloro-4-isopropoxyphenyl)isoxazole-3-carboxamide