BETA-(NITROMETHYL)-BENZENEPROPANOIC ACID

Base Information

• Chemical Name: BETA-(NITROMETHYL)-BENZENEPROPANOIC ACID
• CAS No.: 41441-41-2
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.202
• Hs Code.: 2916399090
• Mol file: 41441-41-2.mol

Synonyms:BETA-(NITROMETHYL)-BENZENEPROPANOIC ACID

Chemical Property of BETA-(NITROMETHYL)-BENZENEPROPANOIC ACID

Chemical Property:

• PSA: 83.12000
• LogP: 2.04480

Purity/Quality:

97% ^*data from raw suppliers

β-(Nitromethyl)-benzenepropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of BETA-(NITROMETHYL)-BENZENEPROPANOIC ACID

There total 7 articles about BETA-(NITROMETHYL)-BENZENEPROPANOIC 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: 92.0%

4-nitro-3-phenylbutanoic acid methyl ester (34687-03-1) → 4-nitro-3-phenyl butanoic acid (41441-41-2)

Guidance literature:

With water; lithium hydroxide; In toluene; at 50 ℃; for 1h; under 3750.38 Torr; Reagent/catalyst; Temperature; Time;

DOI:10.1002/anie.201409765

Reference yield:

4-nitro-3-phenylbutanal (1002103-54-9) → 4-nitro-3-phenyl butanoic acid (41441-41-2)

Guidance literature:

With formic acid; dihydrogen peroxide; In nitromethane; water; at 100 ℃; for 0.333333h; under 3750.38 Torr; Flow reactor;

DOI:10.1021/acs.orglett.0c03100

Reference yield:

(E)-3-phenylpropenal (14371-10-9) → 4-nitro-3-phenyl butanoic acid (41441-41-2)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; α,α-diphenyl-2-pyrrolidinemethanol trimethylsilyl ether / methanol / 24 h / 20 °C / Flow reactor

2: dihydrogen peroxide; formic acid / nitromethane; water / 0.33 h / 100 °C / 3750.38 Torr / Flow reactor

With formic acid; α,α-diphenyl-2-pyrrolidinemethanol trimethylsilyl ether; dihydrogen peroxide; acetic acid; In methanol; nitromethane; water;

DOI:10.1021/acs.orglett.0c03100

upstream raw materials:

ethyl 3-phenyl-4-nitrobutanoate

benzyl alcohol

benzaldehyde

methyl cinnamate

Downstream raw materials:

4-amino-3-phenylbutanoic acid

4-nitro-3-phenylbutanoic acid methyl ester

C₁₀H₉NO₂

Refernces

• 1、 Ghislieri, Diego,Gilmore, Kerry,Seeberger, Peter H.. "Chemical assembly systems: Layered control for divergent, continuous, multistep syntheses of active pharmaceutical ingredients". . p. 678 - 682. Retrieved 2015/03/04.