Acetic acid, oxo[[(1R)-1-phenylethyl]amino]-

Base Information

• Chemical Name: Acetic acid, oxo[[(1R)-1-phenylethyl]amino]-
• CAS No.: 185527-09-7
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.202
• DSSTox Substance ID: DTXSID10471686
• Nikkaji Number: J2.117.230H
• Wikidata: Q82300324
• Mol file: 185527-09-7.mol

Synonyms:Acetic acid, oxo[[(1R)-1-phenylethyl]amino]-;185527-09-7;DTXSID10471686

Chemical Property of Acetic acid, oxo[[(1R)-1-phenylethyl]amino]-

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Acetic acid, oxo[[(1R)-1-phenylethyl]amino]-

There total 7 articles about Acetic acid, oxo[[(1R)-1-phenylethyl]amino]- 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: 56.0%

(R)-1-phenyl-ethyl-amine (3886-69-9) + oxalic acid diethyl ester (95-92-1) → N,N'-Bis-((R)-1-phenyl-ethyl)-oxalamide (31616-26-9) + (R)-N-(1-phenylethyl)oxalamic acid (185527-09-7)

Guidance literature:

(R)-1-phenyl-ethyl-amine; oxalic acid diethyl ester; at 110 ℃; for 3h;

With sodium hydroxide; In water; for 2h; Heating;

DOI:10.1016/S0957-4166(01)00254-3

Reference yield:

N-((R)-1-Phenyl-ethyl)-oxalamic acid ethyl ester → (R)-N-(1-phenylethyl)oxalamic acid (185527-09-7)

Guidance literature:

With sodium hydroxide; In water; toluene; at 40 - 45 ℃; for 0.5h;

DOI:10.1021/jo0203793

Reference yield:

rac-methylbenzylamine (618-36-0) → (R)-N-(1-phenylethyl)oxalamic acid (185527-09-7)

Guidance literature:

Multi-step reaction with 2 steps

2: phosphate buffer (pH 7.0) / acetone / 72 h / lipase B from Candida antarctica in the immobilised form Novozym 435

With phosphate buffer; In acetone;

DOI:10.1039/cc9960002415

upstream raw materials:

1-Phenylethylamine oxalamic acid ethyl ester

N-(1-Phenyl-ethyl)-oxalamic acid octyl ester

(R)-1-phenyl-ethyl-amine

oxalic acid diethyl ester

Downstream raw materials:

(R)-(+)-N-(2-hydroxyethyl)-α-phenylethylamine

2-Hydroxy-N-((R)-1-phenyl-ethyl)-acetamide