N-(4-Nitrobenzoyl)-beta-alanine

Base Information

• Chemical Name: N-(4-Nitrobenzoyl)-beta-alanine
• CAS No.: 59642-21-6
• Molecular Formula: C10H10N2O5
• Molecular Weight: 238.2
• Hs Code.: 2922499990
• Mol file: 59642-21-6.mol

Synonyms:N-(4-Nitrobenzoyl)-b-alanine;

Chemical Property of N-(4-Nitrobenzoyl)-beta-alanine

Chemical Property:

• Melting Point: 157-160 °C(lit.)
• Boiling Point: 533.767 °C at 760 mmHg
• Flash Point: 276.613 °C
• PSA: 112.22000
• Density: 1.407 g/cm³
• LogP: 1.71340
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

N-(4-Nitrobenzoyl)-β-alanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn

MSDS Files:

SDS file from LookChem

Useful:

• Uses: N-(4-Nitrobenzoyl)-β-alanine is a reactant used in the synthesis of guanosine diphosphate β-L-fucose derivatives as selective α-1,3-Fucosyltransferase inhibitors.

Technology Process of N-(4-Nitrobenzoyl)-beta-alanine

There total 7 articles about N-(4-Nitrobenzoyl)-beta-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: 95.0%

4-nitro-benzoyl chloride (122-04-3) + 3-amino propanoic acid (107-95-9) → N-(4-nitrobenzoyl)-beta-alanine (59642-21-6)

Guidance literature:

With sodium hydroxide; at 0 - 20 ℃; for 2.5h;

DOI:10.1002/chem.201605359

Reference yield: 91.0%

4-nitrobenzamide (619-80-7) + 3-amino propanoic acid (107-95-9) → N-(4-nitrobenzoyl)-beta-alanine (59642-21-6)

Guidance literature:

With methylamine; sodium chloride; sodium sulfite; In cyclohexanol; at 45 ℃; for 5h; Concentration;

Reference yield:

1-(4-nitrobenzoyl)-1-azetidin-2-one (873073-31-5) → N-(4-nitrobenzoyl)-beta-alanine (59642-21-6)

Guidance literature:

With sodium hydroxide; at 30 ℃; Kinetics;

DOI:10.1021/ja056124z

upstream raw materials:

N-(4-nitro-benzoyl)-β-alanine nitrile

4-nitro-benzoyl chloride

3-amino propanoic acid

1-(4-nitrobenzoyl)-1-azetidin-2-one

Downstream raw materials:

balsalazide

3-(4-hydroxybenzamido)propanoic acid

Refernces

• 1、 Li, Na,Ou, Jinfeng,Bao, Na,Chen, Cheng,Shi, Zhixian,Chen, Li,Sun, Jianbo. "Design, synthesis and biological evaluation of novel plumbagin derivatives as potent antitumor agents with STAT3 inhibition". . . Retrieved 2020/09/11.
• 2、 -. "A pharmaceutical intermediate balsalazide the nitro-benzoyl-β-alanine synthesis method (by machine translation)". Paragraph 0013; 0014. . Retrieved 2016/11/14.