Fumarate hydratase-IN-1

Base Information

• Chemical Name: Fumarate hydratase-IN-1
• CAS No.: 1644060-37-6
• Molecular Formula: C₂₇H₃₀N₂O₄
• Molecular Weight: 446.546
• Mol file: 1644060-37-6.mol

Synonyms:

Chemical Property of Fumarate hydratase-IN-1

Chemical Property:

• Boiling Point: 693.0±55.0 °C(Predicted)
• PKA: 15.97±0.46(Predicted)
• Density: 1.23±0.1 g/cm3(Predicted)

Purity/Quality:

97% ^*data from raw suppliers

Fumarase-IN-1 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Fumarate hydratase-IN-1

There total 3 articles about Fumarate hydratase-IN-1 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: 75.0%

C26H27NO5 + methylamine (74-89-5) → C27H30N2O4 (1644060-37-6)

Guidance literature:

C₂₆H₂₇NO₅; With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃;

methylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/ja5101257

Reference yield:

N-(4-phenyl)benzylamine (712-76-5) → C27H30N2O4 (1644060-37-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: chloroform / 16 h / 60 °C

1.2: 2 h / 20 °C

2.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 °C

2.2: 20 °C

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; chloroform;

DOI:10.1021/ja5101257

Reference yield:

ethyl 2-oxocyclohexane carboxylate (1655-07-8) → C27H30N2O4 (1644060-37-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: chloroform / 16 h / 60 °C

1.2: 2 h / 20 °C

2.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 °C

2.2: 20 °C

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; chloroform;

DOI:10.1021/ja5101257

upstream raw materials:

ethyl 2-oxocyclohexane carboxylate

methylamine

N-(4-phenyl)benzylamine