3-methoxy-N-propan-2-ylaniline

Base Information

• Chemical Name: 3-methoxy-N-propan-2-ylaniline
• CAS No.: 31143-05-2
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• European Community (EC) Number: 894-846-5
• Mol file: 31143-05-2.mol

Synonyms:3-methoxy-N-(propan-2-yl)aniline;31143-05-2;3-methoxy-N-propan-2-ylaniline;N-isopropyl-3-methoxyaniline;SCHEMBL631776;N-isopropyl-3-methoxybenzenamine;ZZUXLTWVONQPEI-UHFFFAOYSA-N;AKOS000242871;EN300-145111;G44771

Chemical Property of 3-methoxy-N-propan-2-ylaniline

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 125

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)NC1=CC(=CC=C1)OC

Technology Process of 3-methoxy-N-propan-2-ylaniline

There total 3 articles about 3-methoxy-N-propan-2-ylaniline 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: 80.0%

m-Anisidine (536-90-3,918666-97-4) + aluminum isopropoxide (555-31-7) + isopropyl alcohol (67-63-0,8013-70-5) → N-isopropyl-N-(3-methoxyphenyl)amine (31143-05-2)

Guidance literature:

Ni-Re (W-2); In xylene; for 24h; Heating;

Reference yield:

m-Anisidine (536-90-3,918666-97-4) + acetone (67-64-1) → N-isopropyl-N-(3-methoxyphenyl)amine (31143-05-2)

Guidance literature:

With sodium tris(acetoxy)borohydride; acetic acid; In tetrahydrofuran; for 15h; Ambient temperature;

DOI:10.1021/jm970265x

Reference yield:

→ N-isopropyl-N-(3-methoxyphenyl)amine (31143-05-2)

Guidance literature:

o-Brom-anisol, H2N-CH(CH3)2 / NaNH2;

DOI:10.1021/jo00820a612

upstream raw materials:

m-Anisidine

aluminum isopropoxide

isopropyl alcohol

acetone

Downstream raw materials:

3-(1-{[Isopropyl-(3-methoxy-phenyl)-carbamoyl]-methyl}-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-ylmethyl)-indazole-1-carboxylic acid tert-butyl ester

2-(-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydrobenzo[b][1,4]diazepin-1-yl)-N-isopropyl-N-(3-methoxy-phenyl)-acetamide

N-Isopropyl-N-(3-methoxy-phenyl)-2-(2-phenylamino-phenylamino)-acetamide

N-isopropyl-N-(3-methoxyphenyl)bromoacetamide

Refernces

• 1、 Henke, Brad R.,Aquino, Christopher J.,Birkemo, Larry S.,Croom, Dallas K.,Dougherty Jr., Robert W.,Ervin, Gregory N.,Grizzle, Mary K.,Hirst, Gavin C.,James, Michael K.,Johnson, Michael F.,Queen, Kennedy L.,Sherrill, Ronald G.,Sugg, Elizabeth E.,Suh, Edward M.,Szewczyk, Jerzy W.,Unwalla, Rayomand J.,Yingling, Jeff,Willson, Timothy M.. "Optimization of 3-(1H-Indazol-3-ylmethyl)-1,5-benzodiazepines as potent, orally active CCK-A agonists". . p. 2706 - 2725. Retrieved 2007/10/03.