4,5-Hexadienoic acid, 2-amino-3-methyl-, methyl ester

Base Information

• Chemical Name: 4,5-Hexadienoic acid, 2-amino-3-methyl-, methyl ester
• CAS No.: 122885-34-1
• Molecular Formula: C₈H₁₃NO₂
• Molecular Weight: 155.197
• Mol file: 122885-34-1.mol

Synonyms:4,5-Hexadienoic acid, 2-amino-3-methyl-, methyl ester

Chemical Property of 4,5-Hexadienoic acid, 2-amino-3-methyl-, methyl ester

Chemical Property:

• Boiling Point: 189.2±25.0 °C(Predicted)
• PKA: 7.27±0.33(Predicted)
• PSA: 52.32000
• Density: 0.956±0.06 g/cm3(Predicted)
• LogP: 1.16420

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4,5-Hexadienoic acid, 2-amino-3-methyl-, methyl ester

There total 2 articles about 4,5-Hexadienoic acid, 2-amino-3-methyl-, methyl ester 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: 74.0%

2-(Benzhydrylidene-amino)-3-methyl-hexa-4,5-dienoic acid methyl ester (122885-29-4) → 2-Amino-3-methyl-hexa-4,5-dienoic acid methyl ester (122885-34-1)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃; for 1h;

DOI:10.1055/s-1988-27776

Reference yield:

Phosphoric acid diethyl ester 1-methyl-buta-2,3-dienyl ester (89228-83-1) → 2-Amino-3-methyl-hexa-4,5-dienoic acid methyl ester (122885-34-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) diisopropylamine, BuLi / 2.) Pd(dba)2, Ph₃P / 1.) THF, -78 deg C, 1 h, 2.) THF, 20 deg C, 2 h

2: 74 percent / 10percent aq. HCl / diethyl ether / 1 h / 20 °C

With hydrogenchloride; n-butyllithium; diisopropylamine; triphenylphosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In diethyl ether;

DOI:10.1055/s-1988-27776

upstream raw materials:

2-(Benzhydrylidene-amino)-3-methyl-hexa-4,5-dienoic acid methyl ester

Phosphoric acid diethyl ester 1-methyl-buta-2,3-dienyl ester

Refernces