N-[(1S)-1-phenylethyl]hydroxylamine; oxalic acid

Base Information

• Chemical Name: N-[(1S)-1-phenylethyl]hydroxylamine; oxalic acid
• CAS No.: 78798-33-1
• Molecular Formula: C10H13NO5
• Molecular Weight: 227.217
• Hs Code.: 2928000090
• European Community (EC) Number: 626-473-9
• DSSTox Substance ID: DTXSID40474665
• Mol file: 78798-33-1.mol

Synonyms:78798-33-1;N-[(1S)-1-phenylethyl]hydroxylamine;oxalic acid;(S)-N-(alpha-Methylbenzyl)hydroxylamine oxalate salt;(S)-N-(1-Phenylethyl)hydroxylamine oxalate;DTXSID40474665;MFCD12545903;AKOS025393545;SS-4617;(S)-N-(1-Phenylethyl)hydroxylamineoxalate;CS-0455820;oxalic acid,N-[(1S)-1-phenylethyl]hydroxylamine;A917551;N-[(1S)-1-Phenylethyl]hydroxylamine oxalate salt;N-[(1S)-1-PHENYLETHYL]HYDROXYLAMINE OXALATE;Oxalic acid--(1S)-N-hydroxy-1-phenylethan-1-amine (1/1);(S)-N-(alpha-Methylbenzyl)hydroxylamine oxalate salt, >=96.0%

Chemical Property of N-[(1S)-1-phenylethyl]hydroxylamine; oxalic acid

Chemical Property:

• PSA: 106.86000
• LogP: 1.27290
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 227.07937252
• Heavy Atom Count: 16
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

N-[(1s)-1-Phenylethyl]hydroxylamineOxalicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NO.C(=O)(C(=O)O)O
• Isomeric SMILES: C[C@@H](C1=CC=CC=C1)NO.C(=O)(C(=O)O)O

Technology Process of N-[(1S)-1-phenylethyl]hydroxylamine; oxalic acid

There total 3 articles about N-[(1S)-1-phenylethyl]hydroxylamine; oxalic acid 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: 86.0%

oxalic acid (144-62-7,97993-78-7) + (1S)-((1-phenylethyl)imino)acetonitrile N-oxide (300843-73-6,770714-85-7) → (S)-N-hydroxy-α-methyl-benzenemethanamine ethanedioate (78798-33-1)

Guidance literature:

(1S)-((1-phenylethyl)imino)acetonitrile N-oxide; With hydroxylamine hydrochloride; In methanol; at 60 ℃; for 2h;

oxalic acid; In methanol; diethyl ether;

DOI:10.15227/orgsyn.080.0207

Reference yield: 67.0%

(S)-1-phenyl-ethylamine (2627-86-3) → (S)-N-hydroxy-α-methyl-benzenemethanamine ethanedioate (78798-33-1)

Guidance literature:

(S)-1-phenyl-ethylamine; With magnesium sulfate; 4-methoxy-benzaldehyde; In dichloromethane; at 20 ℃;

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; for 4h;

With hydroxylamine hydrochloride; oxalic acid; more than 3 stages;

Reference yield:

oxalic acid (144-62-7,97993-78-7) + 3-(4-Methoxy-phenyl)-2-((S)-1-phenyl-ethyl)-oxaziridine (102302-75-0) → (S)-N-hydroxy-α-methyl-benzenemethanamine ethanedioate (78798-33-1)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1016/S0040-4020(01)96700-6

upstream raw materials:

oxalic acid

3-(4-Methoxy-phenyl)-2-((S)-1-phenyl-ethyl)-oxaziridine

(S)-1-phenyl-ethylamine

(1S)-((1-phenylethyl)imino)acetonitrile N-oxide

Downstream raw materials:

(S)-1-phenyl-ethylamine

(S)-N-(3,5-dinitrobenzoyl)-1-phenylethylamine

(S)-2-(1-phenylethylamino)acetonitrile

N-benzylidene-(S)-α-methylbenzylamine N-oxide