1,2,4-Benzotriazin-3-aMine, 7-(2-chloro-5-Methoxyphenyl)-5-Methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-

Base Information

• Chemical Name: 1,2,4-Benzotriazin-3-aMine, 7-(2-chloro-5-Methoxyphenyl)-5-Methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-
• CAS No.: 867331-63-3
• Molecular Formula: C27H28ClN5O2
• Molecular Weight: 490.005
• Mol file: 867331-63-3.mol

Synonyms:[7-(2-chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-yl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-ylamine;7-(2-chloro-5-methoxyphenyl)-5-methyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)benzo[e][1,2,4]triazin-3-amine;

Chemical Property of 1,2,4-Benzotriazin-3-aMine, 7-(2-chloro-5-Methoxyphenyl)-5-Methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-

Chemical Property:

• PSA: 72.40000
• LogP: 5.89130

Purity/Quality:

97% ^*data from raw suppliers

7-(2-CHLORO-5-METHOXYPHENYL)-5-METHYL-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)BENZO[E][1,2,4]TRIAZIN-3-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,2,4-Benzotriazin-3-aMine, 7-(2-chloro-5-Methoxyphenyl)-5-Methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-

There total 6 articles about 1,2,4-Benzotriazin-3-aMine, 7-(2-chloro-5-Methoxyphenyl)-5-Methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]- 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: 54.0%

7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazine-3-ylamine (867330-72-1) + 1-[2-(4-bromophenoxy)ethyl]pyrrolidine (1081-73-8) → 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-ylamine (867331-63-3)

Guidance literature:

With caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In 1,4-dioxane; for 4h; Heating;

DOI:10.1021/jm7011276

Reference yield: 54.0%

1-[2-(4-bromophenoxy)ethyl]pyrrolidine (1081-73-8) → 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-ylamine (867331-63-3)

Guidance literature:

Reference yield:

7-bromo-5-methylbenzo[1,2,4]triazin-3-ylamine 1-oxide (677297-87-9) → 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-ylamine (867331-63-3)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Raney Ni / ethanol / 4 h / 22 °C

2: 80 percent / Pd(PPh₃)4; K₂CO₃ / 1,2-dimethoxy-ethane; ethanol; H₂O / 3 h / Heating

3: Pd₂(dba)3; xantphos; Cs₂CO₃ / dioxane / 12 h / Heating

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; hydrogen; potassium carbonate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; nickel; In 1,4-dioxane; 1,2-dimethoxyethane; ethanol; water; 2: Suzuki coupling;

DOI:10.1016/j.bmcl.2006.11.006

upstream raw materials:

7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazine-3-ylamine

1-[2-(4-bromophenoxy)ethyl]pyrrolidine

7-bromo-5-methyl-1,2,4-benzotriazin-3-ylamine

7-bromo-5-methylbenzo[1,2,4]triazin-3-ylamine 1-oxide

Downstream raw materials:

avastin