N-retinylidene-N-retinylethanolamine

Base Information

• Chemical Name: N-retinylidene-N-retinylethanolamine
• CAS No.: 173449-96-2
• Molecular Formula: C42H58 N O
• Molecular Weight: 592.929
• UNII: NJT7M2994G
• Nikkaji Number: J1.071.445A,J846.458H
• Wikidata: Q27139841
• Metabolomics Workbench ID: 65896
• ChEMBL ID: CHEMBL2078928

Synonyms:A2-E (N-retinylidene-N-retinylethanolamine);A2-E compound;A2-E, N-retinylidene-N-retinylethanolamine;A2E compound;N-retinylidene-N-retinylethanolamine

Chemical Property of N-retinylidene-N-retinylethanolamine

Chemical Property:

• XLogP3: 11.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 592.451840474
• Heavy Atom Count: 44
• Complexity: 1250

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC2=CC(=[N+](C=C2)CCO)C=C(C)C=CC=C(C)C=CC3=C(CCCC3(C)C)C)C
• Isomeric SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C2=CC(=[N+](C=C2)CCO)/C=C(\C)/C=C/C=C(\C)/C=C/C3=C(CCCC3(C)C)C)/C

Technology Process of N-retinylidene-N-retinylethanolamine

There total 3 articles about N-retinylidene-N-retinylethanolamine 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: 51.0%

all-trans-Retinal (116-31-4) + ethanolamine (141-43-5) → (2-[2,6-dimethyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1E,3E,5E,7E-octatetraenyl]-1-(2-hydroxyethyl)-4-[4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1E,3E,5E-hexatrienyl]-pyridinium) (173449-96-2)

Guidance literature:

With acetic acid; In dichloromethane; at 20 ℃; for 72h; Darkness;

DOI:10.1007/s00204-019-02637-w

Reference yield:

all-trans-Retinal (116-31-4) + ethanolamine (141-43-5) → (2-[2,6-dimethyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1E,3E,5E,7E-octatetraenyl]-1-(2-hydroxyethyl)-4-[4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1E,3E,5E-hexatrienyl]-pyridinium) (173449-96-2) + iso-A2E

Guidance literature:

With acetic acid; In ethanol; at 20 ℃; for 48h;

DOI:10.1016/S0960-894X(01)00314-6

Reference yield:

iso-A2E → (2-[2,6-dimethyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1E,3E,5E,7E-octatetraenyl]-1-(2-hydroxyethyl)-4-[4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1E,3E,5E-hexatrienyl]-pyridinium) (173449-96-2)

Guidance literature:

In methanol; Equilibrium constant; UV-irradiation;

DOI:10.1016/S0960-894X(01)00314-6

upstream raw materials:

all-trans-Retinal

ethanolamine

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