4-(2-METHYLPROPOXY)-BENZENEMETHANAMINE

Base Information

• Chemical Name: 4-(2-METHYLPROPOXY)-BENZENEMETHANAMINE
• CAS No.: 4734-09-2
• Molecular Formula: C11H17NO
• Molecular Weight: 179.262
• Mol file: 4734-09-2.mol

Synonyms:4-(2-METHYLPROPOXY)-BENZENEMETHANAMINE;BENZENEMETHANAMINE, 4-(2-METHYLPROPOXY)-;UKRORGSYN-BB BBV-032489;4-Isobutoxybenzylamine;p-Isobutoxybenzylamine;4-(2-METHYLPROPOXY)-BENZENEMETHAMINE

Chemical Property of 4-(2-METHYLPROPOXY)-BENZENEMETHANAMINE

Chemical Property:

• Melting Point: 129 - 133 °C
• Boiling Point: 276.6±15.0 °C(Predicted)
• PKA: 9.30±0.10(Predicted)
• Flash Point: 116.4±13.6 oC, Calc.*
• PSA: 35.25000
• Density: 0.977±0.06 g/cm3 (20 oC 760 Torr), Calc.*
• LogP: 2.88040
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Isobutoxybenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-Isobutoxybenzylamine is used as a reactant in the synthesis of Pimavanserin.

Technology Process of 4-(2-METHYLPROPOXY)-BENZENEMETHANAMINE

There total 28 articles about 4-(2-METHYLPROPOXY)-BENZENEMETHANAMINE 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: 92.72%

methyl (4-isobutoxybenzyl)carbamate → 1-[4-(2-methylpropyloxy)phenyl]methanamine (4734-09-2)

Guidance literature:

With potassium hydroxide; In ethanol; for 10h; Time; Reflux;

Reference yield: 89.0%

4-isobutoxybenzamide (1030513-44-0) → 1-[4-(2-methylpropyloxy)phenyl]methanamine (4734-09-2)

Guidance literature:

4-isobutoxybenzamide; With phosphorus pentoxide; In toluene; for 2h; Reflux;

With aluminum (III) chloride; lithium aluminium tetrahydride; In diethyl ether; for 2h; Reagent/catalyst; Solvent; Reflux;

Reference yield: 88.0%

4-isobutyloxybenzaldehyde oxime (882035-15-6) → 1-[4-(2-methylpropyloxy)phenyl]methanamine (4734-09-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; ethyl acetate; at 20 ℃; for 18h; under 2585.81 Torr;

upstream raw materials:

4-isobutyloxybenzaldehyde oxime

4-hydroxy-benzaldehyde

4-isobutoxybenzaldehyde

4-(2-methylpropoxy)benzonitrile

Downstream raw materials:

N-(1-methylpiperidin-4-yl)-N-(4-fluorophenylmethyl)-N′-(4-(2-methylpropyloxyl)phenylmethyl)carbamide

1-(isocyanatomethyl)-4-(2-methylpropoxy)benzene

1-(4-fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(piperidin-4-yl)urea

N-(1-methylpiperidin-4-yl)-N-(4-fluorophenylmethyl)-N’-(4-(2-methylpropyloxy)phenylmethyl)carbamide tartaric acid

Refernces

• 1、 -. "PROCESS FOR THE MANUFACTURING OF PIMAVANSERIN". Page/Page column 18. . Retrieved 2020/05/28.
• 2、 Hu, Kun,Ren, Jie,Wu, Dongdong,Xie, Yuxuan,Zhang, Meiju. "A Novel Synthesis of Pimavanserin: A Selective Serotonin 5-HT2A Receptor Inverse Agonist". . . Retrieved 2020/01/31.