N-(3-nitrobenzoyl)-D-alanine

Base Information

Chemical Name:N-(3-nitrobenzoyl)-D-alanine
CAS No.:117958-16-4
Molecular Formula:C10H10N2O5
Molecular Weight:238.2
Hs Code.:
DSSTox Substance ID:DTXSID701309521
Nikkaji Number:J2.259.148G
Mol file:117958-16-4.mol

Synonyms:N-(3-nitrobenzoyl)-D-alanine;DTXSID701309521;AKOS017428481;117958-16-4

Suppliers and Price of N-(3-nitrobenzoyl)-D-alanine

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of N-(3-nitrobenzoyl)-D-alanine

Chemical Property:

XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:238.05897142
Heavy Atom Count:17
Complexity:325

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of N-(3-nitrobenzoyl)-D-alanine

There total 3 articles about N-(3-nitrobenzoyl)-D-alanine 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%

: 338-69-2,25191-17-7,18875-37-1
D-Alanine

: 121-90-4
m-nitrobenzoic acid chloride

: 117958-16-4
(R)-2-(3-nitrobenzoylamino)propionic acid

Guidance literature:: With potassium phosphate; In tetrahydrofuran; at 20 ℃; for 12h; Inert atmosphere;
DOI:10.1016/j.tetlet.2009.03.220

Reference yield:

: 121-90-4
m-nitrobenzoic acid chloride

: 117958-16-4
(R)-2-(3-nitrobenzoylamino)propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: aqueous KOH-solution; benzene

With potassium hydroxide; benzene;
DOI:10.1007/s004100100298