2-Nitropropanoic acid benzyl ester

Base Information

Chemical Name:2-Nitropropanoic acid benzyl ester
CAS No.:3017-54-7
Molecular Formula:C₁₀H₁₁NO₄
Molecular Weight:209.202
Hs Code.:
DSSTox Substance ID:DTXSID701306777
Nikkaji Number:J576.903E
Mol file:3017-54-7.mol

Synonyms:3017-54-7;Phenylmethyl 2-nitropropanoate;SCHEMBL19618993;2-Nitropropanoic acid benzyl ester;DTXSID701306777;FT-0731771

Suppliers and Price of 2-Nitropropanoic acid benzyl ester

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-Nitropropanoic acid benzyl ester

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:209.06880783
Heavy Atom Count:15
Complexity:230

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C(=O)OCC1=CC=CC=C1)[N+](=O)[O-]

Technology Process of 2-Nitropropanoic acid benzyl ester

There total 4 articles about 2-Nitropropanoic acid benzyl ester 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: 95.0%

: 17831-01-5,17831-02-6,46229-47-4
DL-alanine benzyl ester

: 3017-54-7
benzyl 2-nitropropanoate

Guidance literature:: With HOF* CH₃CN; sodium fluoride; In dichloromethane; water; acetonitrile; for 0.0833333h; Ambient temperature;
DOI:10.1021/jo00084a047

Reference yield: 78.0%

: 3017-53-6
benzyl 2-bromopropionate

: 3017-54-7
benzyl 2-nitropropanoate

Guidance literature:: With 3,5-dihydroxyphenol; sodium nitrite; In dimethyl sulfoxide; at 0 ℃;
DOI:10.1021/acs.joc.6b00543

Reference yield:

: 100-51-6,185532-71-2
benzyl alcohol

: 3017-54-7
benzyl 2-nitropropanoate

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine / CH₂Cl₂

2: NaNO₂; phloroglucinol / dimethylformamide

With pyridine; 3,5-dihydroxyphenol; sodium nitrite; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1039/b606062e