4734-09-2

Basic information

• Product Name: 4-(2-METHYLPROPOXY)-BENZENEMETHANAMINE
• Synonyms: 4-(2-METHYLPROPOXY)-BENZENEMETHANAMINE;BENZENEMETHANAMINE, 4-(2-METHYLPROPOXY)-;UKRORGSYN-BB BBV-032489;4-Isobutoxybenzylamine;p-Isobutoxybenzylamine;4-(2-METHYLPROPOXY)-BENZENEMETHAMINE;(4-isobutoxyphenyl)methanamine;[4-(2-methylpropoxy)phenyl]methanamine
• CAS NO: 4734-09-2
• Molecular Formula: C₁₁H₁₇NO
• Molecular Weight: 179.26
• EINECS: 1592732-453-0
• Mol File: 4734-09-2.mol
• Article Data: 25

Chemical Properties

• Boiling Point: 276.6±15.0 °C(Predicted)
• Flash Point: 116.4±13.6 oC, Calc.*
• Appearance: /
• Density: 0.977±0.06 g/cm3 (20 oC 760 Torr), Calc.*
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 9.30±0.10(Predicted)
• CAS DataBase Reference: 4-(2-METHYLPROPOXY)-BENZENEMETHANAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-METHYLPROPOXY)-BENZENEMETHANAMINE(4734-09-2)
• EPA Substance Registry System: 4-(2-METHYLPROPOXY)-BENZENEMETHANAMINE(4734-09-2)

Safety Data

• Hazardous Substances Data: 4734-09-2(Hazardous Substances Data)

Usage

Uses

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

Upstream product

• 882035-15-6 4-isobutyloxybenzaldehyde oxime 
• 40141-14-8 4-isobutoxybenzyl chloride 
• 623-05-2 (4-hydroxyphenyl)methanol 
• 500547-59-1 [4-(2-methylpropoxy)phenyl]methanol 
• 5100-04-9 2-(4-Isobutoxyphenyl)acetamide 
• 13362-94-2 2-[4-(2-methylpropoxy)phenyl]acetic acid 
• 14199-15-6 Methyl 4-hydroxyphenylacetate 
• 156-38-7 4-hydroxyphenylacetate 
• 18962-07-7 4-isobutoxybenzaldehyde 
• 30762-00-6 4-isobutoxybenzoic acid 
• 124403-90-3 methyl 4-(2-methylpropoxy)benzoate 
• 99-76-3 methyl 4-hydroxylbenzoate 
• 99-96-7 4-hydroxy-benzoic acid 
• 50690-54-5 2-[4-(2-methylpropoxy)phenyl]acetonitrile 

Downstream Products

• 706779-91-1 N-(1-methylpiperidin-4-yl)-N-(4-fluorophenylmethyl)-N′-(4-(2-methylpropyloxyl)phenylmethyl)carbamide 
• 639863-75-5 1-(isocyanatomethyl)-4-(2-methylpropoxy)benzene 
• 639863-77-7 1-(4-fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(piperidin-4-yl)urea 
• 1080491-31-1 N-(1-methylpiperidin-4-yl)-N-(4-fluorophenylmethyl)-N’-(4-(2-methylpropyloxy)phenylmethyl)carbamide tartaric acid 
• 955997-87-2 N,N'-bis(4-isobutoxybenzyl)urea 
• 1388858-78-3 N-(4-isobutoxybenzyl)-N'-(4-fluorobenzyl)urea 
• 706782-28-7 Pimavanserin tartrate 
• 24660-99-9 1-isobutoxy-4-(isothiocyanatomethyl)benzene 

Relevant articles and documents

Application of pimavanserin in preparation of antitumor drugs

The invention relates to application of pimavanserin in preparation of antitumor drugs, belongs to the technical field of medicines, and particularly relates to novel application of pimavanserin in preparation of antitumor drugs. The structural formula of the pimavanserin is shown in the formula I. The biological activity test of the compound shows that the compound has antitumor activity and is a novel antitumor drug.

PROCESS FOR THE PREPARATION OF A PHARMACEUTICAL AGENT

This invention relates to a process for the preparation of pimavanserin comprising: (i) providing an acid addition salt of pimavanserin; (ii) dissolving the acid addition salt of pimavanserin in an aqueous solvent to form an aqueous solution; (ill) washing the aqueous solution obtained in step (ii) with an organic solvent; and (iv) adding a base to the washed aqueous solution to form pimavanserin. The invention also relates to a process for the preparation of an acid addition salt of pimavanserin additionally comprising step (v) of converting pimavanserin into an acid addition salt of pimavanserin. The invention also relates to pimavanserin or an acid addition salt thereof obtainable by the process, and to the use of pimavanserin hydrochloride, pimavanserin hydrogen sulfate or pimavanserin acetate for preparing pimavanserin or an acid addition salt thereof.

Method for synthesizing P-isobutoxybenzylamine

The invention provides a method for synthesizing p-isobutoxy benzylamine. P-hydroxybenzyl alcohol is used as a raw material; the method comprises the following steps: reacting p-hydroxybenzyl alcoholwith halogenated isobutane to obtain p-isobutoxy benzyl alcohol; according to the method, p-isobutoxybenzylamine is obtained by taking p-isobutoxybenzylamine as a raw material and performing a seriesof steps such as chlorination and ammonolysis, so the use of relatively harsh reduction conditions with certain risk is avoided, and the produced p-isobutoxybenzylamine is high in purity and excellentin quality and is an excellent route with industrial prospect.