(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethan-1-aminium (2S)-2-acetamido-4-methylpentanoate

Base Information

• Chemical Name: (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethan-1-aminium (2S)-2-acetamido-4-methylpentanoate
• CAS No.: 608141-43-1
• Molecular Formula: C12H19NO4 S.C8H15NO3
• Molecular Weight: 446.565
• Mol file: 608141-43-1.mol

Synonyms:(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethan-1-aminium (2S)-2-acetamido-4-methylpentanoate;AMY38837;BCP10904;(2S)-2-acetamido-4-methylpentanoate;[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]azanium

Chemical Property of (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethan-1-aminium (2S)-2-acetamido-4-methylpentanoate

Chemical Property:

• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 446.20867260
• Heavy Atom Count: 30
• Complexity: 510

Purity/Quality:

97% ^*data from raw suppliers

(S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethylamineN-Acetyl-L-leucineSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)[NH3+])OC.CC(C)CC(C(=O)[O-])NC(=O)C
• Isomeric SMILES: CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)[NH3+])OC.CC(C)C[C@@H](C(=O)[O-])NC(=O)C

Technology Process of (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethan-1-aminium (2S)-2-acetamido-4-methylpentanoate

There total 22 articles about (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethan-1-aminium (2S)-2-acetamido-4-methylpentanoate 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: 98.3%

(S)-2-[1 (3-ethoxy-4-methoxyphenyl)]-1-methanesulfonyl-2-ethylamine (608141-42-0) + N-Ac-Leu (1188-21-2) → (S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine-(S)-2-acetamido-4-methylpentanoate (608141-43-1)

Guidance literature:

In methanol; for 1h; Reflux;

Reference yield: 90.0%

2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulfonyl)eth-2-ylamine (253168-94-4) + N-Ac-Leu (1188-21-2) → (S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine-(S)-2-acetamido-4-methylpentanoate (608141-43-1)

Guidance literature:

In methanol; at 20 ℃; for 8h; Reflux; Resolution of racemate;

Reference yield: 80.0%

N-Ac-Leu (1188-21-2) + 1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethen-1-amine (1450657-31-4) → (S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine-(S)-2-acetamido-4-methylpentanoate (608141-43-1)

Guidance literature:

1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethen-1-amine; With bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate; (2S)-1-[(1S)-1-[bis(1,1-dimethylethyl)phosphino]ethyl]-2-(diphenylphosphino)ferrocene; hydrogen; In 2,2,2-trifluoroethanol; at 50 ℃; for 18h; under 5414.51 Torr; Inert atmosphere;

N-Ac-Leu; In 2,2,2-trifluoroethanol; at 55 ℃; for 2h;

upstream raw materials:

2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulfonyl)eth-2-ylamine

N-Ac-Leu

1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethan-1-one

(S)-4-(1-azido-2-(methylsulfonyl)ethyl)-2-ethoxy-1-methoxybenzene

Downstream raw materials:

Apremilast

7-amino-2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]isoindolin-1-one

(S)-2-[1 (3-ethoxy-4-methoxyphenyl)]-1-methanesulfonyl-2-ethylamine

(1S)-7-nitro-2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)-ethyl]isoindolin-1-one