(2S,3R)-Methyl 3-((methoxycarbonyl)amino)-2-methyl-3-phenylpropanoate

Base Information

• Chemical Name: (2S,3R)-Methyl 3-((methoxycarbonyl)amino)-2-methyl-3-phenylpropanoate
• CAS No.: 116507-58-5
• Molecular Formula: C₁₃H₁₇NO₄
• Molecular Weight: 251.282
• DSSTox Substance ID: DTXSID00554578
• Wikidata: Q82435658
• Mol file: 116507-58-5.mol

Synonyms:116507-58-5;(2S,3R)-METHYL 3-((METHOXYCARBONYL)AMINO)-2-METHYL-3-PHENYLPROPANOATE;methyl (2S,3R)-3-(methoxycarbonylamino)-2-methyl-3-phenylpropanoate;DTXSID00554578;A893564;Methyl (2S,3R)-3-[(methoxycarbonyl)amino]-2-methyl-3-phenylpropanoate;(2S,3R)-METHYL3-((METHOXYCARBONYL)AMINO)-2-METHYL-3-PHENYLPROPANOATE

Chemical Property of (2S,3R)-Methyl 3-((methoxycarbonyl)amino)-2-methyl-3-phenylpropanoate

Chemical Property:

• PSA: 68.12000
• LogP: 2.09720
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 251.11575802
• Heavy Atom Count: 18
• Complexity: 287

Purity/Quality:

97% ^*data from raw suppliers

(2S,3R)-Methyl3-((methoxycarbonyl)amino)-2-methyl-3-phenylpropanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C1=CC=CC=C1)NC(=O)OC)C(=O)OC
• Isomeric SMILES: C[C@@H]([C@H](C1=CC=CC=C1)NC(=O)OC)C(=O)OC

Technology Process of (2S,3R)-Methyl 3-((methoxycarbonyl)amino)-2-methyl-3-phenylpropanoate

There total 6 articles about (2S,3R)-Methyl 3-((methoxycarbonyl)amino)-2-methyl-3-phenylpropanoate 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: 99.1%

methyl α-<α-(methoxycarbonylamino)benzyl>acrylate (116507-53-0) → methyl α-<α-(methoxycarbonylamino)benzyl>propionate (116507-58-5,116507-59-6,139066-69-6,139066-70-9)

Guidance literature:

With hydrogen; Ru(OCOCF₃)2(PPh₃)2; In methanol; at 25 ℃; for 65h; under 22800 Torr;

DOI:10.1246/bcsj.61.319

Reference yield:

methyl α-<α-(methoxycarbonylamino)benzyl>acrylate (116507-53-0) → methyl α-<α-(methoxycarbonylamino)benzyl>propionate (116507-58-5,116507-59-6,139066-69-6,139066-70-9) + methyl α-<α-(methoxycarbonylamino)benzyl>propionate (116507-58-5,116507-59-6,139066-69-6,139066-70-9)

Guidance literature:

With hydrogen; Ru(OCOCF₃)2(PPh₃)2; In methanol; at 25 ℃; for 48h; under 7600 Torr; Product distribution; stereoselectivity, var. catalysts and solvents;

DOI:10.1246/bcsj.61.319

Reference yield:

methyl α-<α-(methoxycarbonylamino)benzyl>acrylate (116507-53-0) → methyl α-<α-(methoxycarbonylamino)benzyl>propionate (116507-58-5,116507-59-6,139066-69-6,139066-70-9) + methyl α-<α-(methoxycarbonylamino)benzyl>propionate (116507-58-5,116507-59-6,139066-69-6,139066-70-9)

Guidance literature:

With hydrogen; Ru(OCOCF₃)2(PPh₃)2; In methanol; at 25 ℃; for 48h; under 7600 Torr; Product distribution; stereoselectivity, var. catalysts and solvents;

DOI:10.1246/bcsj.61.319

upstream raw materials:

methyl α-<α-(methoxycarbonylamino)benzyl>acrylate

methyl N-phenylmethylenecarbamate

Downstream raw materials:

N-methyl-α-isopropylbenzylamine